2-(4-methylphenyl)-5-phenylpentanenitrile

C18H19N — CID 82137049

IUPAC2-(4-methylphenyl)-5-phenylpentanenitrile
SMILESCc1ccc(C(C#N)CCCc2ccccc2)cc1
InChIInChI=1S/C18H19N/c1-15-10-12-17(13-11-15)18(14-19)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-13,18H,5,8-9H2,1H3
InChIKeyJVKOZEARWHRIFA-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.63
Rot. Bonds5

About 2-(4-methylphenyl)-5-phenylpentanenitrile

2-(4-methylphenyl)-5-phenylpentanenitrile (PubChem CID 82137049) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-phenylpentanenitrile.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-phenylpentanenitrile
PubChem CID82137049
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name2-(4-methylphenyl)-5-phenylpentanenitrile
SMILESCc1ccc(C(C#N)CCCc2ccccc2)cc1
InChIInChI=1S/C18H19N/c1-15-10-12-17(13-11-15)18(14-19)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-13,18H,5,8-9H2,1H3
InChIKeyJVKOZEARWHRIFA-UHFFFAOYSA-N
XLogP4.63
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 62608343
2-(4-methylphenyl)pentanenitrile
CID 82074843
4-(1-cyano-3-phenylpropyl)benzonitrile
CID 82137801
N-ethyl-1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 63411938
2-(benzylamino)-2-(4-methylphenyl)acetonitrile
CID 15852212
CID 144815287
CID 144815287
2-(3,4-dichlorophenyl)-4-phenylbutanenitrile
CID 82137373
N-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine
CID 114333277
5-(3,5-dimethylphenoxy)-2-phenylpentanenitrile
CID 82136917
2-(4-methoxyphenyl)-5-(4-methylphenoxy)pentanenitrile
CID 82137632
1-(4-methylphenyl)-5-phenylpentan-2-ol
CID 62606393
2-(2,4-dichlorophenyl)-5-phenylpentanenitrile
CID 82137198

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-phenylpentanenitrile?
The IUPAC name of 2-(4-methylphenyl)-5-phenylpentanenitrile (CID 82137049) is 2-(4-methylphenyl)-5-phenylpentanenitrile.
What is the SMILES notation for 2-(4-methylphenyl)-5-phenylpentanenitrile?
The canonical SMILES for 2-(4-methylphenyl)-5-phenylpentanenitrile is Cc1ccc(C(C#N)CCCc2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-phenylpentanenitrile?
The InChIKey is JVKOZEARWHRIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-15-10-12-17(13-11-15)18(14-19)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-13,18H,5,8-9H2,1H3.
What are the key properties of 2-(4-methylphenyl)-5-phenylpentanenitrile?
2-(4-methylphenyl)-5-phenylpentanenitrile has a molecular weight of 249.36 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-phenylpentanenitrile is sourced from PubChem (CID 82137049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).