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

C18H20N2 — CID 82141191

IUPAC3-[3-(dimethylamino)phenyl]-2-(4-methylphenyl)propanenitrile
SMILESCc1ccc(C(C#N)Cc2cccc(N(C)C)c2)cc1
InChIInChI=1S/C18H20N2/c1-14-7-9-16(10-8-14)17(13-19)11-15-5-4-6-18(12-15)20(2)3/h4-10,12,17H,11H2,1-3H3
InChIKeyQUTFXWMEGFHYJQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.91
Rot. Bonds4

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

3-[3-(dimethylamino)phenyl]-2-(4-methylphenyl)propanenitrile (PubChem CID 82141191) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[3-(dimethylamino)phenyl]-2-(4-methylphenyl)propanenitrile.

Molecular Properties

Compound Name3-[3-(dimethylamino)phenyl]-2-(4-methylphenyl)propanenitrile
PubChem CID82141191
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name3-[3-(dimethylamino)phenyl]-2-(4-methylphenyl)propanenitrile
SMILESCc1ccc(C(C#N)Cc2cccc(N(C)C)c2)cc1
InChIInChI=1S/C18H20N2/c1-14-7-9-16(10-8-14)17(13-19)11-15-5-4-6-18(12-15)20(2)3/h4-10,12,17H,11H2,1-3H3
InChIKeyQUTFXWMEGFHYJQ-UHFFFAOYSA-N
XLogP3.91
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-bis[3-(dimethylamino)phenyl]propanenitrile
CID 82141215
2-[4-(dimethylamino)phenyl]-3-phenylpropanenitrile
CID 82139261
4-[3-(dimethylamino)phenoxy]-2-(4-methylphenyl)butanenitrile
CID 82137039
3-[3-(dimethylamino)phenyl]-2-(2-methoxyphenyl)propanenitrile
CID 82141211
2-[3-(dimethylamino)phenyl]-3-(4-methoxyphenyl)propanenitrile
CID 82140750
3-(4-ethylphenyl)-2-(4-methylphenyl)propanenitrile
CID 82087236
2-[3-(dimethylamino)phenyl]acetonitrile
CID 53403559
2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanenitrile
CID 82140863
3-[1-amino-2-(3-methylphenyl)ethyl]-N,N-dimethylaniline
CID 105091075
2-(4-methylphenyl)-3-(4-nitrophenyl)propanenitrile
CID 82139969
2-[4-(dimethylamino)phenyl]butanenitrile
CID 83684528
N-[cyano-(4-methylphenyl)methyl]-3-(dimethylamino)benzamide
CID 110664187

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)phenyl]-2-(4-methylphenyl)propanenitrile?
The IUPAC name of 3-[3-(dimethylamino)phenyl]-2-(4-methylphenyl)propanenitrile (CID 82141191) is 3-[3-(dimethylamino)phenyl]-2-(4-methylphenyl)propanenitrile.
What is the SMILES notation for 3-[3-(dimethylamino)phenyl]-2-(4-methylphenyl)propanenitrile?
The canonical SMILES for 3-[3-(dimethylamino)phenyl]-2-(4-methylphenyl)propanenitrile is Cc1ccc(C(C#N)Cc2cccc(N(C)C)c2)cc1.
What is the InChIKey of 3-[3-(dimethylamino)phenyl]-2-(4-methylphenyl)propanenitrile?
The InChIKey is QUTFXWMEGFHYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-14-7-9-16(10-8-14)17(13-19)11-15-5-4-6-18(12-15)20(2)3/h4-10,12,17H,11H2,1-3H3.
What are the key properties of 3-[3-(dimethylamino)phenyl]-2-(4-methylphenyl)propanenitrile?
3-[3-(dimethylamino)phenyl]-2-(4-methylphenyl)propanenitrile has a molecular weight of 264.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)phenyl]-2-(4-methylphenyl)propanenitrile is sourced from PubChem (CID 82141191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).