SDF/Mol File of [(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine (C15H22ClN)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying [(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine Molecule

• Chemical structure of [(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of [(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine is available in chemical structure page of [(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of [(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine

  The molecular weight of [(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine is available in molecular weight page of [(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of [(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine

  The chemical formula of [(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine is given in chemical formula page of [(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of [(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of [(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine is:

  InChI=1S/C15H22ClN/c1-12(14-6-8-15(16)9-7-14)10-17-11-13-4-2-3-5-13/h6-9,12-13,17H,2-5,10-11H2,1H3/t12-/m1/s1

  It can provide a standard way to encode the molecular information of [(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of [(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine is:

  InChIKey=QQQLSBJGEKIPFP-GFCCVEGCSA-N

  The InChIKey may allow easier web searches for [(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine, but it needs to be linked to the full InChI to get back to the original structure of the [(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of [(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine

  The [(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of [(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine including the registry numbers are listed below, if available:

  
  
  None available.

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[(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine Identification Summary Frequently Asked Questions (FAQs)

What’s the [(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine formula?
C15H22ClN
How many atoms and what elements are included in the [(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine molecule?
39 atom(s) - 22 Hydrogen atom(s), 15 Carbon atom(s), 1 Nitrogen atom(s), and 1 Chlorine atom(s)
How many chemical bonds and what kind of bonds are in the [(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine structure?
40 bond(s) - 18 non-H bond(s), 6 multiple bond(s), 5 rotatable bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), and 1 secondary amine(s) (aliphatic)
What’s the [(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine’s molar mass?
251.79458 g/mol
What’s the SMILES structure of [(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine?
CC(CNCC1CCCC1)c2ccc(Cl)cc2
What’s the InChI code of [(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine?
InChI=1S/C15H22ClN/c1-12(14-6-8-15(16)9-7-14)10-17-11-13-4-2-3-5-13/h6-9,12-13,17H,2-5,10-11H2,1H3/t12-/m1/s1
What’s the InChIKey format of [(2S)-2-(4-chlorophenyl)propyl](cyclopentylmethyl)amine?
QQQLSBJGEKIPFP-GFCCVEGCSA-N

21 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).