2-(3,4-dimethoxyphenyl)-2-(dimethylamino)-5-phenylpentanenitrile

C21H26N2O2 — CID 134990524

IUPAC2-(3,4-dimethoxyphenyl)-2-(dimethylamino)-5-phenylpentanenitrile
SMILESCOc1ccc(C(C#N)(CCCc2ccccc2)N(C)C)cc1OC
InChIInChI=1S/C21H26N2O2/c1-23(2)21(16-22,14-8-11-17-9-6-5-7-10-17)18-12-13-19(24-3)20(15-18)25-4/h5-7,9-10,12-13,15H,8,11,14H2,1-4H3
InChIKeyDZFUEEMIRKNLLQ-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.01
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-2-(dimethylamino)-5-phenylpentanenitrile

2-(3,4-dimethoxyphenyl)-2-(dimethylamino)-5-phenylpentanenitrile (PubChem CID 134990524) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2-(dimethylamino)-5-phenylpentanenitrile.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2-(dimethylamino)-5-phenylpentanenitrile
PubChem CID134990524
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(3,4-dimethoxyphenyl)-2-(dimethylamino)-5-phenylpentanenitrile
SMILESCOc1ccc(C(C#N)(CCCc2ccccc2)N(C)C)cc1OC
InChIInChI=1S/C21H26N2O2/c1-23(2)21(16-22,14-8-11-17-9-6-5-7-10-17)18-12-13-19(24-3)20(15-18)25-4/h5-7,9-10,12-13,15H,8,11,14H2,1-4H3
InChIKeyDZFUEEMIRKNLLQ-UHFFFAOYSA-N
XLogP4.01
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dimethoxyphenyl)-2-(dimethylamino)-5-phenylpentanenitrile 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

2-(dimethylamino)-2-phenylhexanenitrile
CID 44719412
(2S)-5-[methyl(2-phenylethyl)amino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
CID 70372144
(2R)-2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(2-methoxypropan-2-yl)pentanenitrile
CID 22889032
2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrate;hydrochloride
CID 23581799
2-(3,4-dimethoxyphenyl)-5-[2-(3-hydroxy-4-methoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
CID 131750721
4-[(3,4-dimethoxyphenyl)-diphenylmethyl]-1,2-dimethoxybenzene
CID 118041037
N,N,2-trimethyl-5-phenylpentan-2-amine
CID 13178252
2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
CID 87756009
N-(3-cyanopropyl)-3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide
CID 70087713
(2R)-2-acetyl-5-[3-(3,4-dimethoxyphenyl)propylamino]-2-phenylpentanenitrile
CID 139909933
(2S)-5-amino-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile
CID 91810608
1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine
CID 62606434

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2-(dimethylamino)-5-phenylpentanenitrile?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2-(dimethylamino)-5-phenylpentanenitrile (CID 134990524) is 2-(3,4-dimethoxyphenyl)-2-(dimethylamino)-5-phenylpentanenitrile.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2-(dimethylamino)-5-phenylpentanenitrile?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2-(dimethylamino)-5-phenylpentanenitrile is COc1ccc(C(C#N)(CCCc2ccccc2)N(C)C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2-(dimethylamino)-5-phenylpentanenitrile?
The InChIKey is DZFUEEMIRKNLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-23(2)21(16-22,14-8-11-17-9-6-5-7-10-17)18-12-13-19(24-3)20(15-18)25-4/h5-7,9-10,12-13,15H,8,11,14H2,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-2-(dimethylamino)-5-phenylpentanenitrile?
2-(3,4-dimethoxyphenyl)-2-(dimethylamino)-5-phenylpentanenitrile has a molecular weight of 338.45 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-2-(dimethylamino)-5-phenylpentanenitrile is sourced from PubChem (CID 134990524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).