3-[3-(dimethylamino)phenyl]-2-(2-methoxyphenyl)propanenitrile

C18H20N2O — CID 82141211

IUPAC3-[3-(dimethylamino)phenyl]-2-(2-methoxyphenyl)propanenitrile
SMILESCOc1ccccc1C(C#N)Cc1cccc(N(C)C)c1
InChIInChI=1S/C18H20N2O/c1-20(2)16-8-6-7-14(12-16)11-15(13-19)17-9-4-5-10-18(17)21-3/h4-10,12,15H,11H2,1-3H3
InChIKeySIPCCSTUMLARMC-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.61
Rot. Bonds5

About 3-[3-(dimethylamino)phenyl]-2-(2-methoxyphenyl)propanenitrile

3-[3-(dimethylamino)phenyl]-2-(2-methoxyphenyl)propanenitrile (PubChem CID 82141211) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[3-(dimethylamino)phenyl]-2-(2-methoxyphenyl)propanenitrile.

Molecular Properties

Compound Name3-[3-(dimethylamino)phenyl]-2-(2-methoxyphenyl)propanenitrile
PubChem CID82141211
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name3-[3-(dimethylamino)phenyl]-2-(2-methoxyphenyl)propanenitrile
SMILESCOc1ccccc1C(C#N)Cc1cccc(N(C)C)c1
InChIInChI=1S/C18H20N2O/c1-20(2)16-8-6-7-14(12-16)11-15(13-19)17-9-4-5-10-18(17)21-3/h4-10,12,15H,11H2,1-3H3
InChIKeySIPCCSTUMLARMC-UHFFFAOYSA-N
XLogP3.61
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[3-(dimethylamino)phenyl]-2-(2-methoxyphenyl)propanenitrile 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

2,3-bis[3-(dimethylamino)phenyl]propanenitrile
CID 82141215
2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanenitrile
CID 82140863
3-[3-(dimethylamino)phenyl]-2-(4-methylphenyl)propanenitrile
CID 82141191
2-(2-methoxyphenyl)-3-pyridin-4-ylpropanenitrile
CID 82084081
2-(2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile
CID 82139768
2-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanenitrile
CID 82140750
4-[2-cyano-2-(2-methoxyphenyl)ethyl]benzoic acid
CID 82139690
3-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)propanenitrile
CID 82140609
3-[2-cyano-2-(2-methoxy-5-methylphenyl)ethyl]benzonitrile
CID 82140953
3-amino-2-(2-methoxyphenyl)propanenitrile
CID 82503443
2-[3-(dimethylamino)phenyl]acetonitrile
CID 53403559
3-[2-cyano-2-(2-methoxy-5-propan-2-ylphenyl)ethyl]benzonitrile
CID 82140951

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)phenyl]-2-(2-methoxyphenyl)propanenitrile?
The IUPAC name of 3-[3-(dimethylamino)phenyl]-2-(2-methoxyphenyl)propanenitrile (CID 82141211) is 3-[3-(dimethylamino)phenyl]-2-(2-methoxyphenyl)propanenitrile.
What is the SMILES notation for 3-[3-(dimethylamino)phenyl]-2-(2-methoxyphenyl)propanenitrile?
The canonical SMILES for 3-[3-(dimethylamino)phenyl]-2-(2-methoxyphenyl)propanenitrile is COc1ccccc1C(C#N)Cc1cccc(N(C)C)c1.
What is the InChIKey of 3-[3-(dimethylamino)phenyl]-2-(2-methoxyphenyl)propanenitrile?
The InChIKey is SIPCCSTUMLARMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20(2)16-8-6-7-14(12-16)11-15(13-19)17-9-4-5-10-18(17)21-3/h4-10,12,15H,11H2,1-3H3.
What are the key properties of 3-[3-(dimethylamino)phenyl]-2-(2-methoxyphenyl)propanenitrile?
3-[3-(dimethylamino)phenyl]-2-(2-methoxyphenyl)propanenitrile has a molecular weight of 280.37 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)phenyl]-2-(2-methoxyphenyl)propanenitrile is sourced from PubChem (CID 82141211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).