1-[(4-fluorophenyl)methylamino]cyclopentane-1-carbonitrile

C13H15FN2 — CID 28702687

IUPAC1-[(4-fluorophenyl)methylamino]cyclopentane-1-carbonitrile
SMILESN#CC1(NCc2ccc(F)cc2)CCCC1
InChIInChI=1S/C13H15FN2/c14-12-5-3-11(4-6-12)9-16-13(10-15)7-1-2-8-13/h3-6,16H,1-2,7-9H2
InChIKeyNIVKHWHWVDHGBS-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.75
Rot. Bonds3

About 1-[(4-fluorophenyl)methylamino]cyclopentane-1-carbonitrile

1-[(4-fluorophenyl)methylamino]cyclopentane-1-carbonitrile (PubChem CID 28702687) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methylamino]cyclopentane-1-carbonitrile
PubChem CID28702687
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name1-[(4-fluorophenyl)methylamino]cyclopentane-1-carbonitrile
SMILESN#CC1(NCc2ccc(F)cc2)CCCC1
InChIInChI=1S/C13H15FN2/c14-12-5-3-11(4-6-12)9-16-13(10-15)7-1-2-8-13/h3-6,16H,1-2,7-9H2
InChIKeyNIVKHWHWVDHGBS-UHFFFAOYSA-N
XLogP2.75
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(4-fluorophenyl)methylamino]cyclopentane-1-carbonitrile 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

1-[(3,4-dimethoxyphenyl)methylamino]cyclopentane-1-carbonitrile
CID 28702708
1-(pyridin-3-ylmethylamino)cyclohexane-1-carbonitrile
CID 28702750
1-(benzylamino)-4,4-dimethylcycloheptane-1-carbonitrile
CID 65087940
1-chloro-N-[(4-fluorophenyl)methyl]cyclopropan-1-amine
CID 91927126
4-[2-(4-fluorophenyl)ethylamino]-1-methylpiperidine-4-carbonitrile
CID 28702914
N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 60660161
1-[(4-fluorophenyl)methylamino]cyclopentane-1-carboxylic acid
CID 114990344
1-[[2-(4-fluorophenyl)-2-oxoethyl]amino]cyclopropane-1-carbonitrile
CID 122510744
1-[(2-chlorophenyl)methylamino]cyclopentane-1-carbonitrile
CID 28702688
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
1-[2-(4-methoxyphenyl)ethylamino]cyclopentane-1-carbonitrile
CID 28702701
N-(1-cyanocyclopentyl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide
CID 51097262

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[(4-fluorophenyl)methylamino]cyclopentane-1-carbonitrile (CID 28702687) is 1-[(4-fluorophenyl)methylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[(4-fluorophenyl)methylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[(4-fluorophenyl)methylamino]cyclopentane-1-carbonitrile is N#CC1(NCc2ccc(F)cc2)CCCC1.
What is the InChIKey of 1-[(4-fluorophenyl)methylamino]cyclopentane-1-carbonitrile?
The InChIKey is NIVKHWHWVDHGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c14-12-5-3-11(4-6-12)9-16-13(10-15)7-1-2-8-13/h3-6,16H,1-2,7-9H2.
What are the key properties of 1-[(4-fluorophenyl)methylamino]cyclopentane-1-carbonitrile?
1-[(4-fluorophenyl)methylamino]cyclopentane-1-carbonitrile has a molecular weight of 218.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 28702687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).