Structure & Deep Data of Embramine (C18H22BrNO)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Embramine molecule contains a total of 44 bond(s). There are 22 non-H bond(s), 12 multiple bond(s), 6 rotatable bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 tertiary amine(s) (aliphatic), and 1 ether(s) (aliphatic). Images of the chemical structure of Embramine are given below:

The 2D chemical structure image of Embramine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Embramine 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 Embramine 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 Embramine. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Embramine Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Embramine

  The SMILES string of Embramine is CN(C)CCOC(C)(c1ccccc1)c2ccc(Br)cc2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Embramine.

• Structure Data File (SDF/MOL File) of Embramine

  The structure data file (SDF/MOL File) of Embramine is available for download in the SDF page of Embramine, which provides the information about the atoms, bonds, connectivity and coordinates of Embramine. The Embramine structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Embramine

  The molecular formula of Embramine is available in chemical formula page of Embramine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Embramine

  The molecular weight of Embramine is available in molecular weight page of Embramine, 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 Embramine

  The Embramine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Embramine including the various registry numbers, if available:

  • Ethanamine, 2-(1-(4-bromophenyl)-1-phenylethoxy)-N,N-dimethyl- (9CI)
  • 2-[1-(4-bromophenyl)-1-phenyl-ethoxy]-N,N-dimethyl-ethanamine
  • D07889
  • 13977-28-1 (hydrochloride)
  • Embramine (INN)
  • C18H22BrNO
  • ETHYLAMINE, 2-((p-BROMO-alpha-METHYL-alpha-PHENYLBENZYL)OXY)-N,N-DIMETHYL-
  • Ethylamine, 2-((p-bromo-.alpha.-methyl-.alpha.-phenylbenzyl)oxy)-N,N-dimethyl-
  • 2-((p-Bromo-.alpha.-methyl-.alpha.-phenylbenzyl)oxy)-N,N-dimethylethylamine
  • 2-(p-Bromo-alpha-methyl-alpha-phenylbenzyloxy)-N,N-dimethylethyl amine

  • Ethanamine, 2-(1-(4-bromophenyl)-1-phenylethoxy)-N,N-dimethyl-
  • Embramina
  • 2-[1-(4-bromophenyl)-1-phenylethoxy]-N,N-dimethylethanamine
  • Embraminum
  • 2-((p-Bromo-alpha-methyl-alpha-phenylbenzyl)oxy)-N,N-dimethylethylamine
  • 2-(1-(4-Bromophenyl)-1-phenylethoxy)-N,N-dimethylethanamine
  • Embramine HCl
  • Embramine hydrochloride
  • Bromadryl
  • Embramina [INN-Spanish]

  • Embraminum [INN-Latin]
  • Embramine [INN:BAN]
  • mebrophenhydramine
  • 3565-72-8
  • Embramine

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Embramine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Embramine?
C18H22BrNO
How many atoms and what are the elements included the Embramine molecule?
43 atom(s) - 22 Hydrogen atom(s), 18 Carbon atom(s), 1 Nitrogen atom(s), 1 Oxygen atom(s), and 1 Bromine atom(s)
How many chemical bonds and what kind of bonds are included the Embramine structure?
44 bond(s) - 22 non-H bond(s), 12 multiple bond(s), 6 rotatable bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 tertiary amine(s) (aliphatic), and 1 ether(s) (aliphatic)
What’s the Embramine’s molecular weight?
348.27738 g/mol
What’s the SMILES code of Embramine?
CN(C)CCOC(C)(c1ccccc1)c2ccc(Br)cc2
What’s the InChI string of Embramine?
InChI=1S/C18H22BrNO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3
What’s the InChIKey code of Embramine?
URSRSKSNFPUKGH-UHFFFAOYSA-N

31 The contents of this page can freely be shared if cited as follows:
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).