3-(4-ethylphenyl)-2-(4-methylphenyl)propanenitrile

C18H19N — CID 82087236

IUPAC3-(4-ethylphenyl)-2-(4-methylphenyl)propanenitrile
SMILESCCc1ccc(CC(C#N)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H19N/c1-3-15-6-8-16(9-7-15)12-18(13-19)17-10-4-14(2)5-11-17/h4-11,18H,3,12H2,1-2H3
InChIKeyHVDWMVMUHKVORC-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.41
Rot. Bonds4

About 3-(4-ethylphenyl)-2-(4-methylphenyl)propanenitrile

3-(4-ethylphenyl)-2-(4-methylphenyl)propanenitrile (PubChem CID 82087236) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-2-(4-methylphenyl)propanenitrile.

Molecular Properties

Compound Name3-(4-ethylphenyl)-2-(4-methylphenyl)propanenitrile
PubChem CID82087236
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name3-(4-ethylphenyl)-2-(4-methylphenyl)propanenitrile
SMILESCCc1ccc(CC(C#N)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H19N/c1-3-15-6-8-16(9-7-15)12-18(13-19)17-10-4-14(2)5-11-17/h4-11,18H,3,12H2,1-2H3
InChIKeyHVDWMVMUHKVORC-UHFFFAOYSA-N
XLogP4.41
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methylphenyl)-3-(4-nitrophenyl)propanenitrile
CID 82139969
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
2-(4-methylphenyl)pentanenitrile
CID 82074843
2-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)propanenitrile
CID 82092833
2-(2-chlorophenyl)-3-(4-methylphenyl)propanenitrile
CID 82088876
3-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propanenitrile
CID 82092276
4-[1-cyano-2-(4-propan-2-ylphenyl)ethyl]benzonitrile
CID 82140089
3-[3-(dimethylamino)phenyl]-2-(4-methylphenyl)propanenitrile
CID 82141191
2,3-bis[4-(trifluoromethyl)phenyl]propanenitrile
CID 594365
1-ethyl-4-methylbenzene;propane
CID 144580802
2-(4-bromophenyl)-3-(4-ethoxyphenyl)propanenitrile
CID 82140783
2-(2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanenitrile
CID 82140092

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-2-(4-methylphenyl)propanenitrile?
The IUPAC name of 3-(4-ethylphenyl)-2-(4-methylphenyl)propanenitrile (CID 82087236) is 3-(4-ethylphenyl)-2-(4-methylphenyl)propanenitrile.
What is the SMILES notation for 3-(4-ethylphenyl)-2-(4-methylphenyl)propanenitrile?
The canonical SMILES for 3-(4-ethylphenyl)-2-(4-methylphenyl)propanenitrile is CCc1ccc(CC(C#N)c2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-2-(4-methylphenyl)propanenitrile?
The InChIKey is HVDWMVMUHKVORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-3-15-6-8-16(9-7-15)12-18(13-19)17-10-4-14(2)5-11-17/h4-11,18H,3,12H2,1-2H3.
What are the key properties of 3-(4-ethylphenyl)-2-(4-methylphenyl)propanenitrile?
3-(4-ethylphenyl)-2-(4-methylphenyl)propanenitrile has a molecular weight of 249.36 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-2-(4-methylphenyl)propanenitrile is sourced from PubChem (CID 82087236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).