2-cyclohexyl-2-(2-methylphenyl)acetonitrile

C15H19N — CID 79019577

IUPAC2-cyclohexyl-2-(2-methylphenyl)acetonitrile
SMILESCc1ccccc1C(C#N)C1CCCCC1
InChIInChI=1S/C15H19N/c1-12-7-5-6-10-14(12)15(11-16)13-8-3-2-4-9-13/h5-7,10,13,15H,2-4,8-9H2,1H3
InChIKeyLHRMTLYAEALSPA-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.18
Rot. Bonds2

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

2-cyclohexyl-2-(2-methylphenyl)acetonitrile (PubChem CID 79019577) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-cyclohexyl-2-(2-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-cyclohexyl-2-(2-methylphenyl)acetonitrile
PubChem CID79019577
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name2-cyclohexyl-2-(2-methylphenyl)acetonitrile
SMILESCc1ccccc1C(C#N)C1CCCCC1
InChIInChI=1S/C15H19N/c1-12-7-5-6-10-14(12)15(11-16)13-8-3-2-4-9-13/h5-7,10,13,15H,2-4,8-9H2,1H3
InChIKeyLHRMTLYAEALSPA-UHFFFAOYSA-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

(2R)-2-(2-chlorophenyl)-2-cyclopentylacetonitrile
CID 27137488
(2S)-2-cyclohexyl-2-phenylacetonitrile
CID 6992167
2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile
CID 61002347
3-cyclooctyl-2-(2-methylphenyl)-3-oxopropanenitrile
CID 65018476
(2S)-2-cyclohexyl-2-(4-methylphenyl)acetonitrile
CID 51669423
(R)-cyclopentyl-(2-methylphenyl)methanol
CID 93312335
[cyclooctyl-(2-methylphenyl)methyl]hydrazine
CID 105254975
(1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81390722
N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-2-amine
CID 82932644
2-(5-chloro-2-methoxyphenyl)-2-cyclopentylacetonitrile
CID 79019427
1,5-dicyclopentyl-1,5-bis(2-methylphenyl)pentan-3-one
CID 73011663
N-[2-cyclohexyl-2-(2-methylphenyl)ethyl]propan-1-amine
CID 82933275

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(2-methylphenyl)acetonitrile?
The IUPAC name of 2-cyclohexyl-2-(2-methylphenyl)acetonitrile (CID 79019577) is 2-cyclohexyl-2-(2-methylphenyl)acetonitrile.
What is the SMILES notation for 2-cyclohexyl-2-(2-methylphenyl)acetonitrile?
The canonical SMILES for 2-cyclohexyl-2-(2-methylphenyl)acetonitrile is Cc1ccccc1C(C#N)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(2-methylphenyl)acetonitrile?
The InChIKey is LHRMTLYAEALSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-12-7-5-6-10-14(12)15(11-16)13-8-3-2-4-9-13/h5-7,10,13,15H,2-4,8-9H2,1H3.
What are the key properties of 2-cyclohexyl-2-(2-methylphenyl)acetonitrile?
2-cyclohexyl-2-(2-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 2-cyclohexyl-2-(2-methylphenyl)acetonitrile is sourced from PubChem (CID 79019577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).