2-[cyclopentyl-[(2-fluorophenyl)methyl]amino]acetonitrile

C14H17FN2 — CID 62048932

IUPAC2-[cyclopentyl-[(2-fluorophenyl)methyl]amino]acetonitrile
SMILESN#CCN(Cc1ccccc1F)C1CCCC1
InChIInChI=1S/C14H17FN2/c15-14-8-4-1-5-12(14)11-17(10-9-16)13-6-2-3-7-13/h1,4-5,8,13H,2-3,6-7,10-11H2
InChIKeyLKEULQLRBPJETG-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.09
Rot. Bonds4

About 2-[cyclopentyl-[(2-fluorophenyl)methyl]amino]acetonitrile

2-[cyclopentyl-[(2-fluorophenyl)methyl]amino]acetonitrile (PubChem CID 62048932) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-[cyclopentyl-[(2-fluorophenyl)methyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[cyclopentyl-[(2-fluorophenyl)methyl]amino]acetonitrile
PubChem CID62048932
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name2-[cyclopentyl-[(2-fluorophenyl)methyl]amino]acetonitrile
SMILESN#CCN(Cc1ccccc1F)C1CCCC1
InChIInChI=1S/C14H17FN2/c15-14-8-4-1-5-12(14)11-17(10-9-16)13-6-2-3-7-13/h1,4-5,8,13H,2-3,6-7,10-11H2
InChIKeyLKEULQLRBPJETG-UHFFFAOYSA-N
XLogP3.09
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[cyclopentyl-[(2-methylphenyl)methyl]amino]acetonitrile
CID 62048389
N-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine
CID 112828716
2-[(3-bromo-2,6-difluorophenyl)methyl-cyclopentylamino]acetonitrile
CID 106264001
N,N-bis(2-cyanoethyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 86911668
1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-methylpropan-2-ol
CID 110932461
N-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 27106314
3-[[cyclopentyl(3-methylbutyl)amino]methyl]-2-fluorobenzonitrile
CID 107114969
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclobutanamine
CID 71920109
N-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)cyclopropanamine
CID 86909109
N-(2-chloroethyl)-N-[(5-chloro-2-fluorophenyl)methyl]cyclobutanamine
CID 103050095
1-(cyclobutylmethyl)-2-fluorobenzene
CID 89050192
N-[(2-fluorophenyl)methyl]-N-(quinolin-8-ylmethyl)cyclopropanamine
CID 55503066

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[(2-fluorophenyl)methyl]amino]acetonitrile?
The IUPAC name of 2-[cyclopentyl-[(2-fluorophenyl)methyl]amino]acetonitrile (CID 62048932) is 2-[cyclopentyl-[(2-fluorophenyl)methyl]amino]acetonitrile.
What is the SMILES notation for 2-[cyclopentyl-[(2-fluorophenyl)methyl]amino]acetonitrile?
The canonical SMILES for 2-[cyclopentyl-[(2-fluorophenyl)methyl]amino]acetonitrile is N#CCN(Cc1ccccc1F)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[(2-fluorophenyl)methyl]amino]acetonitrile?
The InChIKey is LKEULQLRBPJETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c15-14-8-4-1-5-12(14)11-17(10-9-16)13-6-2-3-7-13/h1,4-5,8,13H,2-3,6-7,10-11H2.
What are the key properties of 2-[cyclopentyl-[(2-fluorophenyl)methyl]amino]acetonitrile?
2-[cyclopentyl-[(2-fluorophenyl)methyl]amino]acetonitrile has a molecular weight of 232.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(2-fluorophenyl)methyl]amino]acetonitrile is sourced from PubChem (CID 62048932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).