(2S)-2-cyclohexyl-2-(4-methylphenyl)acetonitrile

C15H19N — CID 51669423

IUPAC(2S)-2-cyclohexyl-2-(4-methylphenyl)acetonitrile
SMILESCc1ccc([C@@H](C#N)C2CCCCC2)cc1
InChIInChI=1S/C15H19N/c1-12-7-9-14(10-8-12)15(11-16)13-5-3-2-4-6-13/h7-10,13,15H,2-6H2,1H3/t15-/m0/s1
InChIKeyLPGDMHZKVSCFBC-HNNXBMFYSA-N
MW213.32 g/mol
LogP4.18
Rot. Bonds2

About (2S)-2-cyclohexyl-2-(4-methylphenyl)acetonitrile

(2S)-2-cyclohexyl-2-(4-methylphenyl)acetonitrile (PubChem CID 51669423) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-(4-methylphenyl)acetonitrile.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-(4-methylphenyl)acetonitrile
PubChem CID51669423
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name(2S)-2-cyclohexyl-2-(4-methylphenyl)acetonitrile
SMILESCc1ccc([C@@H](C#N)C2CCCCC2)cc1
InChIInChI=1S/C15H19N/c1-12-7-9-14(10-8-12)15(11-16)13-5-3-2-4-6-13/h7-10,13,15H,2-6H2,1H3/t15-/m0/s1
InChIKeyLPGDMHZKVSCFBC-HNNXBMFYSA-N
XLogP4.18
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-2-cyclohexylacetonitrile
CID 12603992
(2S)-2-cyclohexyl-2-phenylacetonitrile
CID 6992167
2-cyclopentyl-2-(4-ethylphenyl)acetonitrile
CID 82078345
2-cyclohexyl-2-(2-methylphenyl)acetonitrile
CID 79019577
2-cyclopropyl-2-(4-fluorophenyl)acetonitrile
CID 55270127
2-(3-chloro-4-methoxyphenyl)-2-cyclohexylacetonitrile
CID 82091396
2-cyclohexyl-2-(4-methylanilino)acetonitrile
CID 54886450
2-cyclohexyl-2-pyridin-3-ylacetonitrile
CID 82931254
2-cycloheptyl-N-methyl-2-(4-methylphenyl)ethanamine
CID 82933613
1-[3-cyclopentyl-3-(4-methoxyphenyl)prop-1-ynyl]-4-methylbenzene
CID 177441906
(1R,2S)-2-amino-1-cyclohexyl-2-(4-methylphenyl)ethanol
CID 146913887
3-cyclopentyl-3-(4-methylphenyl)propan-1-amine
CID 82079151

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-(4-methylphenyl)acetonitrile?
The IUPAC name of (2S)-2-cyclohexyl-2-(4-methylphenyl)acetonitrile (CID 51669423) is (2S)-2-cyclohexyl-2-(4-methylphenyl)acetonitrile.
What is the SMILES notation for (2S)-2-cyclohexyl-2-(4-methylphenyl)acetonitrile?
The canonical SMILES for (2S)-2-cyclohexyl-2-(4-methylphenyl)acetonitrile is Cc1ccc([C@@H](C#N)C2CCCCC2)cc1.
What is the InChIKey of (2S)-2-cyclohexyl-2-(4-methylphenyl)acetonitrile?
The InChIKey is LPGDMHZKVSCFBC-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19N/c1-12-7-9-14(10-8-12)15(11-16)13-5-3-2-4-6-13/h7-10,13,15H,2-6H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-cyclohexyl-2-(4-methylphenyl)acetonitrile?
(2S)-2-cyclohexyl-2-(4-methylphenyl)acetonitrile has a molecular weight of 213.32 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-(4-methylphenyl)acetonitrile is sourced from PubChem (CID 51669423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).