2-[1-(2-fluorophenyl)ethylamino]cyclopentane-1-carbonitrile

C14H17FN2 — CID 55154369

IUPAC2-[1-(2-fluorophenyl)ethylamino]cyclopentane-1-carbonitrile
SMILESCC(NC1CCCC1C#N)c1ccccc1F
InChIInChI=1S/C14H17FN2/c1-10(12-6-2-3-7-13(12)15)17-14-8-4-5-11(14)9-16/h2-3,6-7,10-11,14,17H,4-5,8H2,1H3
InChIKeyNMFJCRUDFHMSLC-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.17
Rot. Bonds3

About 2-[1-(2-fluorophenyl)ethylamino]cyclopentane-1-carbonitrile

2-[1-(2-fluorophenyl)ethylamino]cyclopentane-1-carbonitrile (PubChem CID 55154369) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)ethylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)ethylamino]cyclopentane-1-carbonitrile
PubChem CID55154369
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name2-[1-(2-fluorophenyl)ethylamino]cyclopentane-1-carbonitrile
SMILESCC(NC1CCCC1C#N)c1ccccc1F
InChIInChI=1S/C14H17FN2/c1-10(12-6-2-3-7-13(12)15)17-14-8-4-5-11(14)9-16/h2-3,6-7,10-11,14,17H,4-5,8H2,1H3
InChIKeyNMFJCRUDFHMSLC-UHFFFAOYSA-N
XLogP3.17
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]cyclopentan-1-ol
CID 102733815
2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile
CID 63868107
2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81386978
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclopentane-1-carbonitrile
CID 81352755
2-[1-(2,5-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile
CID 62962007
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]cyclopentane-1-carbonitrile
CID 81365434
2-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile
CID 62742248
2-(1-pyridin-2-ylethylamino)cyclopentane-1-carbonitrile
CID 62741303
2-[1-(2,5-dihydroxyphenyl)ethylamino]cyclopentane-1-carbonitrile
CID 62963106
2-ethyl-N-[1-(2-fluorophenyl)ethyl]cyclohexan-1-amine
CID 43709448
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81347113
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81351968

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)ethylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[1-(2-fluorophenyl)ethylamino]cyclopentane-1-carbonitrile (CID 55154369) is 2-[1-(2-fluorophenyl)ethylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[1-(2-fluorophenyl)ethylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[1-(2-fluorophenyl)ethylamino]cyclopentane-1-carbonitrile is CC(NC1CCCC1C#N)c1ccccc1F.
What is the InChIKey of 2-[1-(2-fluorophenyl)ethylamino]cyclopentane-1-carbonitrile?
The InChIKey is NMFJCRUDFHMSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-10(12-6-2-3-7-13(12)15)17-14-8-4-5-11(14)9-16/h2-3,6-7,10-11,14,17H,4-5,8H2,1H3.
What are the key properties of 2-[1-(2-fluorophenyl)ethylamino]cyclopentane-1-carbonitrile?
2-[1-(2-fluorophenyl)ethylamino]cyclopentane-1-carbonitrile has a molecular weight of 232.30 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)ethylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 55154369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).