2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclopentane-1-carbonitrile

C14H17ClN2 — CID 81352755

IUPAC2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclopentane-1-carbonitrile
SMILESC[C@@H](NC1CCCC1C#N)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2/c1-10(11-5-7-13(15)8-6-11)17-14-4-2-3-12(14)9-16/h5-8,10,12,14,17H,2-4H2,1H3/t10-,12?,14?/m1/s1
InChIKeySTJHGAGFUYQTRG-PWQPVHBWSA-N
MW248.76 g/mol
LogP3.68
Rot. Bonds3

About 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclopentane-1-carbonitrile

2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclopentane-1-carbonitrile (PubChem CID 81352755) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclopentane-1-carbonitrile
PubChem CID81352755
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclopentane-1-carbonitrile
SMILESC[C@@H](NC1CCCC1C#N)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2/c1-10(11-5-7-13(15)8-6-11)17-14-4-2-3-12(14)9-16/h5-8,10,12,14,17H,2-4H2,1H3/t10-,12?,14?/m1/s1
InChIKeySTJHGAGFUYQTRG-PWQPVHBWSA-N
XLogP3.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81351968
2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile
CID 63868107
2-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexane-1-carbonitrile
CID 81357000
2-[1-(2,5-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile
CID 62962007
2-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile
CID 62742248
2-[[(1R)-1-(4-methylphenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81356243
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81347113
2-[1-[4-(cyanomethoxy)phenyl]ethylamino]cyclopentane-1-carbonitrile
CID 62960931
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 81353352
N-[1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63277047
2-[1-(2-fluorophenyl)ethylamino]cyclopentane-1-carbonitrile
CID 55154369
2-(1-thiophen-3-ylethylamino)cyclopentane-1-carbonitrile
CID 62841523

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclopentane-1-carbonitrile (CID 81352755) is 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclopentane-1-carbonitrile is C[C@@H](NC1CCCC1C#N)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclopentane-1-carbonitrile?
The InChIKey is STJHGAGFUYQTRG-PWQPVHBWSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-10(11-5-7-13(15)8-6-11)17-14-4-2-3-12(14)9-16/h5-8,10,12,14,17H,2-4H2,1H3/t10-,12?,14?/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclopentane-1-carbonitrile?
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclopentane-1-carbonitrile has a molecular weight of 248.76 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 81352755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).