2-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexane-1-carbonitrile

C16H22N2 — CID 81357000

IUPAC2-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexane-1-carbonitrile
SMILESCc1ccc([C@H](C)NC2CCCCC2C#N)cc1
InChIInChI=1S/C16H22N2/c1-12-7-9-14(10-8-12)13(2)18-16-6-4-3-5-15(16)11-17/h7-10,13,15-16,18H,3-6H2,1-2H3/t13-,15?,16?/m0/s1
InChIKeySYLISOIGXBGLEF-JEYLPNPQSA-N
MW242.37 g/mol
LogP3.73
Rot. Bonds3

About 2-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexane-1-carbonitrile

2-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexane-1-carbonitrile (PubChem CID 81357000) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexane-1-carbonitrile
PubChem CID81357000
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexane-1-carbonitrile
SMILESCc1ccc([C@H](C)NC2CCCCC2C#N)cc1
InChIInChI=1S/C16H22N2/c1-12-7-9-14(10-8-12)13(2)18-16-6-4-3-5-15(16)11-17/h7-10,13,15-16,18H,3-6H2,1-2H3/t13-,15?,16?/m0/s1
InChIKeySYLISOIGXBGLEF-JEYLPNPQSA-N
XLogP3.73
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(4-methylphenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81356243
2-[1-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile
CID 62742248
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81347113
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81351968
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]cyclopentane-1-carbonitrile
CID 81352755
2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carbonitrile
CID 63868107
2-[1-[4-(cyanomethoxy)phenyl]ethylamino]cyclopentane-1-carbonitrile
CID 62960931
2-(1-thiophen-3-ylethylamino)cyclopentane-1-carbonitrile
CID 62841523
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]cycloheptane-1-carbonitrile
CID 81382206
2-(1-thiophen-2-ylethylamino)cycloheptane-1-carbonitrile
CID 62741305
2-[[(1R)-1-thiophen-2-ylethyl]amino]cycloheptane-1-carbonitrile
CID 81408481
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]cyclopentane-1-carbonitrile
CID 81365434

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexane-1-carbonitrile (CID 81357000) is 2-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexane-1-carbonitrile is Cc1ccc([C@H](C)NC2CCCCC2C#N)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexane-1-carbonitrile?
The InChIKey is SYLISOIGXBGLEF-JEYLPNPQSA-N. The full InChI is InChI=1S/C16H22N2/c1-12-7-9-14(10-8-12)13(2)18-16-6-4-3-5-15(16)11-17/h7-10,13,15-16,18H,3-6H2,1-2H3/t13-,15?,16?/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexane-1-carbonitrile?
2-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexane-1-carbonitrile has a molecular weight of 242.37 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-methylphenyl)ethyl]amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 81357000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).