2-[(3-chloro-4-methoxyphenyl)methylamino]cyclopentane-1-carbonitrile

C14H17ClN2O — CID 65021627

IUPAC2-[(3-chloro-4-methoxyphenyl)methylamino]cyclopentane-1-carbonitrile
SMILESCOc1ccc(CNC2CCCC2C#N)cc1Cl
InChIInChI=1S/C14H17ClN2O/c1-18-14-6-5-10(7-12(14)15)9-17-13-4-2-3-11(13)8-16/h5-7,11,13,17H,2-4,9H2,1H3
InChIKeyKEMUIMKOMLRMCF-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.13
Rot. Bonds4

About 2-[(3-chloro-4-methoxyphenyl)methylamino]cyclopentane-1-carbonitrile

2-[(3-chloro-4-methoxyphenyl)methylamino]cyclopentane-1-carbonitrile (PubChem CID 65021627) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)methylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)methylamino]cyclopentane-1-carbonitrile
PubChem CID65021627
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-[(3-chloro-4-methoxyphenyl)methylamino]cyclopentane-1-carbonitrile
SMILESCOc1ccc(CNC2CCCC2C#N)cc1Cl
InChIInChI=1S/C14H17ClN2O/c1-18-14-6-5-10(7-12(14)15)9-17-13-4-2-3-11(13)8-16/h5-7,11,13,17H,2-4,9H2,1H3
InChIKeyKEMUIMKOMLRMCF-UHFFFAOYSA-N
XLogP3.13
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-dibromophenyl)methylamino]cyclopentane-1-carbonitrile
CID 113429756
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclopentane-1-carbonitrile
CID 55152539
2-(5-chloro-2,4-dimethoxyanilino)cyclopentane-1-carbonitrile
CID 62741106
methyl 4-[[(2-cyanocyclopentyl)amino]methyl]benzoate
CID 62960921
N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864559
2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile
CID 65340963
2-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]cyclopentane-1-carbonitrile
CID 62961301
2-(3-chloro-4-methoxyphenyl)cyclohexane-1-carbonitrile
CID 82244801
2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]cyclopentane-1-carbonitrile
CID 62963122
N-[(3-chloro-4-methoxyphenyl)methyl]thian-4-amine
CID 115653478
2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile
CID 62742638
2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile
CID 62997457

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)methylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)methylamino]cyclopentane-1-carbonitrile (CID 65021627) is 2-[(3-chloro-4-methoxyphenyl)methylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)methylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)methylamino]cyclopentane-1-carbonitrile is COc1ccc(CNC2CCCC2C#N)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)methylamino]cyclopentane-1-carbonitrile?
The InChIKey is KEMUIMKOMLRMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-18-14-6-5-10(7-12(14)15)9-17-13-4-2-3-11(13)8-16/h5-7,11,13,17H,2-4,9H2,1H3.
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)methylamino]cyclopentane-1-carbonitrile?
2-[(3-chloro-4-methoxyphenyl)methylamino]cyclopentane-1-carbonitrile has a molecular weight of 264.76 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)methylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 65021627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).