2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]cyclopentane-1-carbonitrile

C14H17FN2 — CID 81365434

IUPAC2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]cyclopentane-1-carbonitrile
SMILESC[C@@H](NC1CCCC1C#N)c1cccc(F)c1
InChIInChI=1S/C14H17FN2/c1-10(11-4-2-6-13(15)8-11)17-14-7-3-5-12(14)9-16/h2,4,6,8,10,12,14,17H,3,5,7H2,1H3/t10-,12?,14?/m1/s1
InChIKeyKQXCMMMGCIWIHU-PWQPVHBWSA-N
MW232.30 g/mol
LogP3.17
Rot. Bonds3

About 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]cyclopentane-1-carbonitrile

2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]cyclopentane-1-carbonitrile (PubChem CID 81365434) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]cyclopentane-1-carbonitrile
PubChem CID81365434
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]cyclopentane-1-carbonitrile
SMILESC[C@@H](NC1CCCC1C#N)c1cccc(F)c1
InChIInChI=1S/C14H17FN2/c1-10(11-4-2-6-13(15)8-11)17-14-7-3-5-12(14)9-16/h2,4,6,8,10,12,14,17H,3,5,7H2,1H3/t10-,12?,14?/m1/s1
InChIKeyKQXCMMMGCIWIHU-PWQPVHBWSA-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

2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile
CID 63868107
2-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile
CID 62742248
trans-(1R,2R)-2-[1-(3-fluorophenyl)ethylamino]cyclopentan-1-ol
CID 102733281
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81382206
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81347113
N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81365854
N-[1-(3-fluorophenyl)ethyl]-2-methoxycyclopentan-1-amine
CID 55033361
2-tert-butyl-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81364809
2-tert-butyl-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 81369390
2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]cyclohexan-1-amine
CID 43078909
2-[1-(2-fluorophenyl)ethylamino]cyclopentane-1-carbonitrile
CID 55154369
2-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclopentan-1-amine
CID 81364867

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]cyclopentane-1-carbonitrile (CID 81365434) is 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]cyclopentane-1-carbonitrile is C[C@@H](NC1CCCC1C#N)c1cccc(F)c1.
What is the InChIKey of 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]cyclopentane-1-carbonitrile?
The InChIKey is KQXCMMMGCIWIHU-PWQPVHBWSA-N. The full InChI is InChI=1S/C14H17FN2/c1-10(11-4-2-6-13(15)8-11)17-14-7-3-5-12(14)9-16/h2,4,6,8,10,12,14,17H,3,5,7H2,1H3/t10-,12?,14?/m1/s1.
What are the key properties of 2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]cyclopentane-1-carbonitrile?
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]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-[[(1R)-1-(3-fluorophenyl)ethyl]amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 81365434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).