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

C18H20N2O — CID 82140863

IUPAC2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanenitrile
SMILESCOc1ccccc1CC(C#N)c1cccc(N(C)C)c1
InChIInChI=1S/C18H20N2O/c1-20(2)17-9-6-8-14(12-17)16(13-19)11-15-7-4-5-10-18(15)21-3/h4-10,12,16H,11H2,1-3H3
InChIKeyHZJSZMFAPPUXHX-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.61
Rot. Bonds5

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

2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanenitrile (PubChem CID 82140863) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanenitrile.

Molecular Properties

Compound Name2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanenitrile
PubChem CID82140863
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanenitrile
SMILESCOc1ccccc1CC(C#N)c1cccc(N(C)C)c1
InChIInChI=1S/C18H20N2O/c1-20(2)17-9-6-8-14(12-17)16(13-19)11-15-7-4-5-10-18(15)21-3/h4-10,12,16H,11H2,1-3H3
InChIKeyHZJSZMFAPPUXHX-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

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Related Compounds

3-[1-amino-2-(2-methoxyphenyl)ethyl]-N,N-dimethylaniline
CID 105107410
2-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanenitrile
CID 82140750
2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanoic acid
CID 82140838
3-[3-(dimethylamino)phenyl]-2-(2-methoxyphenyl)propanenitrile
CID 82141211
2,3-bis[3-(dimethylamino)phenyl]propanenitrile
CID 82141215
3-[1-cyano-2-(5-fluoro-2-methoxyphenyl)ethyl]benzonitrile
CID 82141934
2-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)propanenitrile
CID 82091793
2-(2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile
CID 82139768
3-[1-hydroxy-2-(2-methoxyphenyl)ethyl]benzonitrile
CID 115481188
3-[ethylamino-(2-methoxyphenyl)methyl]-N,N-dimethylaniline
CID 105093677
2-(5-bromo-2-methoxyphenyl)-1-[3-(dimethylamino)phenyl]ethanol
CID 105081993
3-[3-(dimethylamino)phenyl]-2-(4-methylphenyl)propanenitrile
CID 82141191

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanenitrile?
The IUPAC name of 2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanenitrile (CID 82140863) is 2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanenitrile.
What is the SMILES notation for 2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanenitrile?
The canonical SMILES for 2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanenitrile is COc1ccccc1CC(C#N)c1cccc(N(C)C)c1.
What is the InChIKey of 2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanenitrile?
The InChIKey is HZJSZMFAPPUXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20(2)17-9-6-8-14(12-17)16(13-19)11-15-7-4-5-10-18(15)21-3/h4-10,12,16H,11H2,1-3H3.
What are the key properties of 2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanenitrile?
2-[3-(dimethylamino)phenyl]-3-(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 2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanenitrile is sourced from PubChem (CID 82140863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).