3-(3-ethyl-4-methoxyphenyl)-2-(2-methylphenyl)propanenitrile

C19H21NO — CID 82141674

IUPAC3-(3-ethyl-4-methoxyphenyl)-2-(2-methylphenyl)propanenitrile
SMILESCCc1cc(CC(C#N)c2ccccc2C)ccc1OC
InChIInChI=1S/C19H21NO/c1-4-16-11-15(9-10-19(16)21-3)12-17(13-20)18-8-6-5-7-14(18)2/h5-11,17H,4,12H2,1-3H3
InChIKeyDIEQVOGUOJQSPD-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.42
Rot. Bonds5

About 3-(3-ethyl-4-methoxyphenyl)-2-(2-methylphenyl)propanenitrile

3-(3-ethyl-4-methoxyphenyl)-2-(2-methylphenyl)propanenitrile (PubChem CID 82141674) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(3-ethyl-4-methoxyphenyl)-2-(2-methylphenyl)propanenitrile.

Molecular Properties

Compound Name3-(3-ethyl-4-methoxyphenyl)-2-(2-methylphenyl)propanenitrile
PubChem CID82141674
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name3-(3-ethyl-4-methoxyphenyl)-2-(2-methylphenyl)propanenitrile
SMILESCCc1cc(CC(C#N)c2ccccc2C)ccc1OC
InChIInChI=1S/C19H21NO/c1-4-16-11-15(9-10-19(16)21-3)12-17(13-20)18-8-6-5-7-14(18)2/h5-11,17H,4,12H2,1-3H3
InChIKeyDIEQVOGUOJQSPD-UHFFFAOYSA-N
XLogP4.42
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-3-(3-ethyl-4-methoxyphenyl)propanenitrile
CID 82141675
2-[(3-ethyl-4-methoxyphenyl)methyl]butanenitrile
CID 116931524
3-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)propanenitrile
CID 82140609
2-(3-ethyl-4-methoxyphenyl)-3-(4-methoxyphenyl)propanenitrile
CID 82140756
4-(3-ethyl-4-methoxyphenyl)butanenitrile
CID 96657172
4-[2-cyano-2-(2-methylphenyl)ethyl]benzoic acid
CID 82139680
2-(3-ethyl-4-methoxyphenyl)-4-phenylbutanenitrile
CID 82137906
4-[2-cyano-2-(2-methoxyphenyl)ethyl]benzoic acid
CID 82139690
3-[2-cyano-2-(2-methoxy-5-methylphenyl)ethyl]benzonitrile
CID 82140953
2-(4-methoxy-3-methylphenyl)-3-(2-methylphenyl)propanenitrile
CID 82091793
5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(2-methylphenyl)pentanenitrile
CID 4074809
3-[3-(dimethylamino)phenyl]-2-(2-methoxyphenyl)propanenitrile
CID 82141211

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-methoxyphenyl)-2-(2-methylphenyl)propanenitrile?
The IUPAC name of 3-(3-ethyl-4-methoxyphenyl)-2-(2-methylphenyl)propanenitrile (CID 82141674) is 3-(3-ethyl-4-methoxyphenyl)-2-(2-methylphenyl)propanenitrile.
What is the SMILES notation for 3-(3-ethyl-4-methoxyphenyl)-2-(2-methylphenyl)propanenitrile?
The canonical SMILES for 3-(3-ethyl-4-methoxyphenyl)-2-(2-methylphenyl)propanenitrile is CCc1cc(CC(C#N)c2ccccc2C)ccc1OC.
What is the InChIKey of 3-(3-ethyl-4-methoxyphenyl)-2-(2-methylphenyl)propanenitrile?
The InChIKey is DIEQVOGUOJQSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-4-16-11-15(9-10-19(16)21-3)12-17(13-20)18-8-6-5-7-14(18)2/h5-11,17H,4,12H2,1-3H3.
What are the key properties of 3-(3-ethyl-4-methoxyphenyl)-2-(2-methylphenyl)propanenitrile?
3-(3-ethyl-4-methoxyphenyl)-2-(2-methylphenyl)propanenitrile has a molecular weight of 279.38 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-methoxyphenyl)-2-(2-methylphenyl)propanenitrile is sourced from PubChem (CID 82141674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).