Structure & Deep Data of Tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine (C15H21F2NO)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine molecule contains a total of 41 bond(s). There are 20 non-H bond(s), 6 multiple bond(s), 4 rotatable bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 secondary amine(s) (aliphatic), 1 ether(s) (aliphatic), and 1 Oxolane(s). Images of the chemical structure of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine are given below:

The 2D chemical structure image of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine

  The SMILES string of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine is CC(C)(C)NCC1CCOC1c2cc(F)cc(F)c2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine.

• Structure Data File (SDF/MOL File) of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine

  The structure data file (SDF/MOL File) of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine is available for download in the SDF page of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine, which provides the information about the atoms, bonds, connectivity and coordinates of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine. The tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine

  The molecular formula of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine is available in chemical formula page of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine

  The molecular weight of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine is available in molecular weight page of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine

  The tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine including the various registry numbers, if available:

  
  
  None available.

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Tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine?
C15H21F2NO
How many atoms and what are the elements included the tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine molecule?
40 atom(s) - 21 Hydrogen atom(s), 15 Carbon atom(s), 1 Nitrogen atom(s), 1 Oxygen atom(s), and 2 Fluorine atom(s)
How many chemical bonds and what kind of bonds are included the tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine structure?
41 bond(s) - 20 non-H bond(s), 6 multiple bond(s), 4 rotatable bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 secondary amine(s) (aliphatic), 1 ether(s) (aliphatic), and 1 Oxolane(s)
What’s the tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine’s molecular weight?
269.330146 g/mol
What’s the SMILES code of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine?
CC(C)(C)NCC1CCOC1c2cc(F)cc(F)c2
What’s the InChI string of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine?
InChI=1S/C15H21F2NO/c1-15(2,3)18-9-10-4-5-19-14(10)11-6-12(16)8-13(17)7-11/h6-8,10,14,18H,4-5,9H2,1-3H3
What’s the InChIKey code of tert-butyl({[2-(3,5-difluorophenyl)oxolan-3-yl]methyl})amine?
SZYQEWUKJBNEOP-UHFFFAOYSA-N

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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).