2-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanenitrile

C18H20N2O — CID 82140750

IUPAC2-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanenitrile
SMILESCOc1ccc(CC(C#N)c2cccc(N(C)C)c2)cc1
InChIInChI=1S/C18H20N2O/c1-20(2)17-6-4-5-15(12-17)16(13-19)11-14-7-9-18(21-3)10-8-14/h4-10,12,16H,11H2,1-3H3
InChIKeyWATGNSRQVHGELR-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.61
Rot. Bonds5

About 2-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanenitrile

2-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanenitrile (PubChem CID 82140750) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanenitrile.

Molecular Properties

Compound Name2-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanenitrile
PubChem CID82140750
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanenitrile
SMILESCOc1ccc(CC(C#N)c2cccc(N(C)C)c2)cc1
InChIInChI=1S/C18H20N2O/c1-20(2)17-6-4-5-15(12-17)16(13-19)11-14-7-9-18(21-3)10-8-14/h4-10,12,16H,11H2,1-3H3
InChIKeyWATGNSRQVHGELR-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

2,3-bis[3-(dimethylamino)phenyl]propanenitrile
CID 82141215
2-(3-fluorophenyl)-3-(4-methoxyphenyl)propanenitrile
CID 82140744
2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanenitrile
CID 82140863
3-[3-(dimethylamino)phenyl]-2-(4-methylphenyl)propanenitrile
CID 82141191
3-[3-(dimethylamino)phenyl]-2-(2-methoxyphenyl)propanenitrile
CID 82141211
2-(3-ethyl-4-methoxyphenyl)-3-(4-methoxyphenyl)propanenitrile
CID 82140756
2-[4-(dimethylamino)phenyl]-3-phenylpropanenitrile
CID 82139261
3-(4-methoxyphenyl)-2-(4-nitrophenyl)propanenitrile
CID 71721505
3-(dimethylamino)-2-(3-methoxyphenyl)propanenitrile
CID 82076986
3-N-(4-methoxyphenyl)-1-N,1-N,3-N-trimethylbenzene-1,3-diamine
CID 110455032
(3,5-dimethoxyphenyl)-[3-(dimethylamino)phenyl]methanol
CID 105114451
3-(3-chloro-4-methoxyphenyl)-2-phenylpropanenitrile
CID 82141770

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanenitrile?
The IUPAC name of 2-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanenitrile (CID 82140750) is 2-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanenitrile.
What is the SMILES notation for 2-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanenitrile?
The canonical SMILES for 2-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanenitrile is COc1ccc(CC(C#N)c2cccc(N(C)C)c2)cc1.
What is the InChIKey of 2-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanenitrile?
The InChIKey is WATGNSRQVHGELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20(2)17-6-4-5-15(12-17)16(13-19)11-14-7-9-18(21-3)10-8-14/h4-10,12,16H,11H2,1-3H3.
What are the key properties of 2-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanenitrile?
2-[3-(dimethylamino)phenyl]-3-(4-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-(4-methoxyphenyl)propanenitrile is sourced from PubChem (CID 82140750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).