2-chloro-N-(cyclopentylmethyl)aniline

C12H16ClN — CID 61344994

IUPAC2-chloro-N-(cyclopentylmethyl)aniline
SMILESClc1ccccc1NCC1CCCC1
InChIInChI=1S/C12H16ClN/c13-11-7-3-4-8-12(11)14-9-10-5-1-2-6-10/h3-4,7-8,10,14H,1-2,5-6,9H2
InChIKeyMGRNFYGCYPGRIC-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.94
Rot. Bonds3

About 2-chloro-N-(cyclopentylmethyl)aniline

2-chloro-N-(cyclopentylmethyl)aniline (PubChem CID 61344994) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 2-chloro-N-(cyclopentylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(cyclopentylmethyl)aniline
PubChem CID61344994
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name2-chloro-N-(cyclopentylmethyl)aniline
SMILESClc1ccccc1NCC1CCCC1
InChIInChI=1S/C12H16ClN/c13-11-7-3-4-8-12(11)14-9-10-5-1-2-6-10/h3-4,7-8,10,14H,1-2,5-6,9H2
InChIKeyMGRNFYGCYPGRIC-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-chloro-1-N-(cyclohexylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine
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2-chloro-6-(cyclopentylmethylamino)benzoic acid
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2,4-dichloro-N-(cyclobutylmethyl)aniline
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2-bromo-N-(cyclobutylmethyl)aniline
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclopentylmethyl)aniline?
The IUPAC name of 2-chloro-N-(cyclopentylmethyl)aniline (CID 61344994) is 2-chloro-N-(cyclopentylmethyl)aniline.
What is the SMILES notation for 2-chloro-N-(cyclopentylmethyl)aniline?
The canonical SMILES for 2-chloro-N-(cyclopentylmethyl)aniline is Clc1ccccc1NCC1CCCC1.
What is the InChIKey of 2-chloro-N-(cyclopentylmethyl)aniline?
The InChIKey is MGRNFYGCYPGRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c13-11-7-3-4-8-12(11)14-9-10-5-1-2-6-10/h3-4,7-8,10,14H,1-2,5-6,9H2.
What are the key properties of 2-chloro-N-(cyclopentylmethyl)aniline?
2-chloro-N-(cyclopentylmethyl)aniline has a molecular weight of 209.72 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopentylmethyl)aniline is sourced from PubChem (CID 61344994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).