2-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-4-phenylbutanenitrile

C21H26N2 — CID 13316566

IUPAC2-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-4-phenylbutanenitrile
SMILESCc1ccc(C(C#N)(CCc2ccccc2)CCN(C)C)cc1
InChIInChI=1S/C21H26N2/c1-18-9-11-20(12-10-18)21(17-22,15-16-23(2)3)14-13-19-7-5-4-6-8-19/h4-12H,13-16H2,1-3H3
InChIKeyLIZSELZWCXFEPP-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.34
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-4-phenylbutanenitrile

2-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-4-phenylbutanenitrile (PubChem CID 13316566) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-4-phenylbutanenitrile.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-4-phenylbutanenitrile
PubChem CID13316566
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name2-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-4-phenylbutanenitrile
SMILESCc1ccc(C(C#N)(CCc2ccccc2)CCN(C)C)cc1
InChIInChI=1S/C21H26N2/c1-18-9-11-20(12-10-18)21(17-22,15-16-23(2)3)14-13-19-7-5-4-6-8-19/h4-12H,13-16H2,1-3H3
InChIKeyLIZSELZWCXFEPP-UHFFFAOYSA-N
XLogP4.34
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-4-phenylbutanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile;hydrochloride
CID 54599725
2-[2-(dimethylamino)ethyl]-2-(3-methoxyphenyl)-4-phenylbutanenitrile
CID 13316584
2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-phenylbutanenitrile
CID 13316570
2-[2-(dimethylamino)ethyl]-4-[di(propan-2-yl)amino]-2-(4-fluorophenyl)butanenitrile
CID 12612268
2-(4-methylphenyl)-4-phenylbutan-2-amine
CID 60797705
ethyl 2-cyano-2-(4-methylphenyl)-4-phenylbutanoate
CID 138963989
2-phenyl-2-propylpentanenitrile
CID 12754193
2,2-diethyl-4-phenylbutanenitrile
CID 82138721
4-phenyl-2-(4-phenylphenyl)-2-(1,2,4-triazol-1-ylmethyl)butanenitrile
CID 19910726
5-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-phenylpentanenitrile
CID 21320523
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
N,N-dimethyl-7-phenylheptan-1-amine;hydrate
CID 173447731

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-4-phenylbutanenitrile?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-4-phenylbutanenitrile (CID 13316566) is 2-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-4-phenylbutanenitrile.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-4-phenylbutanenitrile?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-4-phenylbutanenitrile is Cc1ccc(C(C#N)(CCc2ccccc2)CCN(C)C)cc1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-4-phenylbutanenitrile?
The InChIKey is LIZSELZWCXFEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-18-9-11-20(12-10-18)21(17-22,15-16-23(2)3)14-13-19-7-5-4-6-8-19/h4-12H,13-16H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-4-phenylbutanenitrile?
2-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-4-phenylbutanenitrile has a molecular weight of 306.45 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-4-phenylbutanenitrile is sourced from PubChem (CID 13316566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).