3-chloro-2-[(2-hydroxycyclopentyl)methylamino]benzonitrile

C13H15ClN2O — CID 133324072

IUPAC3-chloro-2-[(2-hydroxycyclopentyl)methylamino]benzonitrile
SMILESN#Cc1cccc(Cl)c1NCC1CCCC1O
InChIInChI=1S/C13H15ClN2O/c14-11-5-1-3-9(7-15)13(11)16-8-10-4-2-6-12(10)17/h1,3,5,10,12,16-17H,2,4,6,8H2
InChIKeyJRCYPLBHZJEDQC-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.78
Rot. Bonds3

About 3-chloro-2-[(2-hydroxycyclopentyl)methylamino]benzonitrile

3-chloro-2-[(2-hydroxycyclopentyl)methylamino]benzonitrile (PubChem CID 133324072) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 3-chloro-2-[(2-hydroxycyclopentyl)methylamino]benzonitrile.

Molecular Properties

Compound Name3-chloro-2-[(2-hydroxycyclopentyl)methylamino]benzonitrile
PubChem CID133324072
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name3-chloro-2-[(2-hydroxycyclopentyl)methylamino]benzonitrile
SMILESN#Cc1cccc(Cl)c1NCC1CCCC1O
InChIInChI=1S/C13H15ClN2O/c14-11-5-1-3-9(7-15)13(11)16-8-10-4-2-6-12(10)17/h1,3,5,10,12,16-17H,2,4,6,8H2
InChIKeyJRCYPLBHZJEDQC-UHFFFAOYSA-N
XLogP2.78
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-2-[(2-hydroxycyclopentyl)methylamino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-[[(1R,2S)-2-hydroxycyclopentyl]methylamino]benzonitrile
CID 95778487
2-chloro-4-[[(1R,2R)-2-hydroxycyclopentyl]methylamino]benzonitrile
CID 95778489
2-[(2-cyano-6-methylanilino)methyl]cyclopentane-1-carboxylic acid
CID 107106136
2-[(3-chloro-2-nitroanilino)methyl]cyclopentan-1-ol
CID 104836005
2-[(2-hydroxycyclohexyl)methylamino]quinoline-3-carbonitrile
CID 64911454
3-amino-2-[(2-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile
CID 82813785
4-[(2-hydroxycyclohexyl)methylamino]benzonitrile
CID 64911456
2,3-dichloro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 64913894
2-bromo-6-[(2-hydroxycyclohexyl)methylamino]benzonitrile
CID 114881116
2-amino-5-[(2-hydroxycyclohexyl)methylamino]benzonitrile
CID 115499554
1-(2-cyanophenyl)-N-[(2-hydroxycyclohexyl)methyl]methanesulfonamide
CID 64912022
4-amino-3-[(2-hydroxycyclopentyl)methylamino]benzonitrile
CID 104712081

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-hydroxycyclopentyl)methylamino]benzonitrile?
The IUPAC name of 3-chloro-2-[(2-hydroxycyclopentyl)methylamino]benzonitrile (CID 133324072) is 3-chloro-2-[(2-hydroxycyclopentyl)methylamino]benzonitrile.
What is the SMILES notation for 3-chloro-2-[(2-hydroxycyclopentyl)methylamino]benzonitrile?
The canonical SMILES for 3-chloro-2-[(2-hydroxycyclopentyl)methylamino]benzonitrile is N#Cc1cccc(Cl)c1NCC1CCCC1O.
What is the InChIKey of 3-chloro-2-[(2-hydroxycyclopentyl)methylamino]benzonitrile?
The InChIKey is JRCYPLBHZJEDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c14-11-5-1-3-9(7-15)13(11)16-8-10-4-2-6-12(10)17/h1,3,5,10,12,16-17H,2,4,6,8H2.
What are the key properties of 3-chloro-2-[(2-hydroxycyclopentyl)methylamino]benzonitrile?
3-chloro-2-[(2-hydroxycyclopentyl)methylamino]benzonitrile has a molecular weight of 250.73 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2-hydroxycyclopentyl)methylamino]benzonitrile is sourced from PubChem (CID 133324072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).