2-chloro-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzonitrile

C14H17ClN2O — CID 115360414

IUPAC2-chloro-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzonitrile
SMILESN#Cc1c(Cl)cccc1NCC1(CO)CCCC1
InChIInChI=1S/C14H17ClN2O/c15-12-4-3-5-13(11(12)8-16)17-9-14(10-18)6-1-2-7-14/h3-5,17-18H,1-2,6-7,9-10H2
InChIKeyJMVAPFLFOAULTO-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.18
Rot. Bonds4

About 2-chloro-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzonitrile

2-chloro-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzonitrile (PubChem CID 115360414) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-chloro-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzonitrile.

Molecular Properties

Compound Name2-chloro-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzonitrile
PubChem CID115360414
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-chloro-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzonitrile
SMILESN#Cc1c(Cl)cccc1NCC1(CO)CCCC1
InChIInChI=1S/C14H17ClN2O/c15-12-4-3-5-13(11(12)8-16)17-9-14(10-18)6-1-2-7-14/h3-5,17-18H,1-2,6-7,9-10H2
InChIKeyJMVAPFLFOAULTO-UHFFFAOYSA-N
XLogP3.18
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzonitrile
CID 103966844
2-bromo-6-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzonitrile
CID 114881316
2-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzonitrile
CID 113444816
5-chloro-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzonitrile
CID 112697546
2-[1-[(3-bromo-2-cyanoanilino)methyl]cyclohexyl]acetic acid
CID 114880107
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293557
2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-6-fluorobenzonitrile
CID 133491706
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol
CID 103965941
2-chloro-6-(2-cyanoethylamino)benzonitrile
CID 131065808
2-(2-aminoethylamino)-6-chlorobenzonitrile
CID 62496330
2-chloro-6-[(4-hydroxy-2,2-dimethylbutyl)amino]benzonitrile
CID 106144665
[1-[[(3-chloro-4-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 112697538

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzonitrile?
The IUPAC name of 2-chloro-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzonitrile (CID 115360414) is 2-chloro-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzonitrile.
What is the SMILES notation for 2-chloro-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzonitrile?
The canonical SMILES for 2-chloro-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzonitrile is N#Cc1c(Cl)cccc1NCC1(CO)CCCC1.
What is the InChIKey of 2-chloro-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzonitrile?
The InChIKey is JMVAPFLFOAULTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-12-4-3-5-13(11(12)8-16)17-9-14(10-18)6-1-2-7-14/h3-5,17-18H,1-2,6-7,9-10H2.
What are the key properties of 2-chloro-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzonitrile?
2-chloro-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzonitrile has a molecular weight of 264.76 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzonitrile is sourced from PubChem (CID 115360414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).