1-[(2-chlorophenyl)methylamino]cyclopentane-1-carbonitrile

C13H15ClN2 — CID 28702688

IUPAC1-[(2-chlorophenyl)methylamino]cyclopentane-1-carbonitrile
SMILESN#CC1(NCc2ccccc2Cl)CCCC1
InChIInChI=1S/C13H15ClN2/c14-12-6-2-1-5-11(12)9-16-13(10-15)7-3-4-8-13/h1-2,5-6,16H,3-4,7-9H2
InChIKeyHQCSUYDFBNONJQ-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.27
Rot. Bonds3

About 1-[(2-chlorophenyl)methylamino]cyclopentane-1-carbonitrile

1-[(2-chlorophenyl)methylamino]cyclopentane-1-carbonitrile (PubChem CID 28702688) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methylamino]cyclopentane-1-carbonitrile
PubChem CID28702688
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name1-[(2-chlorophenyl)methylamino]cyclopentane-1-carbonitrile
SMILESN#CC1(NCc2ccccc2Cl)CCCC1
InChIInChI=1S/C13H15ClN2/c14-12-6-2-1-5-11(12)9-16-13(10-15)7-3-4-8-13/h1-2,5-6,16H,3-4,7-9H2
InChIKeyHQCSUYDFBNONJQ-UHFFFAOYSA-N
XLogP3.27
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)methylamino]cyclopentane-1-carbonitrile
CID 28702687
2-[(2-chlorophenyl)methyl-methylamino]-N-(1-cyanocyclohexyl)propanamide
CID 18078808
1-[2-(2,4-dichlorophenyl)ethylamino]cyclohexane-1-carbonitrile
CID 28702772
2-[1-[(2-chlorophenyl)methylamino]cyclobutyl]ethanol;hydrochloride
CID 115673948
1-(pyridin-3-ylmethylamino)cyclohexane-1-carbonitrile
CID 28702750
1-(benzylamino)-4,4-dimethylcycloheptane-1-carbonitrile
CID 65087940
2-chloro-N-(1-cyanocyclohexyl)benzenesulfonamide
CID 60660817
N-[(2-chlorophenyl)methyl]spiro[4.5]decan-8-amine
CID 114817057
N-[(2-chlorophenyl)methyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 43424910
2-[(2-chlorophenyl)methyl]thiolane-2-carbonitrile
CID 83173466
N-[(2-chlorophenyl)methyl]adamantan-1-amine
CID 4719217
1-(2-chlorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride
CID 115680463

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[(2-chlorophenyl)methylamino]cyclopentane-1-carbonitrile (CID 28702688) is 1-[(2-chlorophenyl)methylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[(2-chlorophenyl)methylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[(2-chlorophenyl)methylamino]cyclopentane-1-carbonitrile is N#CC1(NCc2ccccc2Cl)CCCC1.
What is the InChIKey of 1-[(2-chlorophenyl)methylamino]cyclopentane-1-carbonitrile?
The InChIKey is HQCSUYDFBNONJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c14-12-6-2-1-5-11(12)9-16-13(10-15)7-3-4-8-13/h1-2,5-6,16H,3-4,7-9H2.
What are the key properties of 1-[(2-chlorophenyl)methylamino]cyclopentane-1-carbonitrile?
1-[(2-chlorophenyl)methylamino]cyclopentane-1-carbonitrile has a molecular weight of 234.73 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 28702688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).