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

C16H15N — CID 90950416

IUPAC3-[2-(2-methylphenyl)phenyl]propanenitrile
SMILESCc1ccccc1-c1ccccc1CCC#N
InChIInChI=1S/C16H15N/c1-13-7-2-4-10-15(13)16-11-5-3-8-14(16)9-6-12-17/h2-5,7-8,10-11H,6,9H2,1H3
InChIKeyWJIJPKNOZBEZTQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP4.12
Rot. Bonds3

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

3-[2-(2-methylphenyl)phenyl]propanenitrile (PubChem CID 90950416) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[2-(2-methylphenyl)phenyl]propanenitrile.

Molecular Properties

Compound Name3-[2-(2-methylphenyl)phenyl]propanenitrile
PubChem CID90950416
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name3-[2-(2-methylphenyl)phenyl]propanenitrile
SMILESCc1ccccc1-c1ccccc1CCC#N
InChIInChI=1S/C16H15N/c1-13-7-2-4-10-15(13)16-11-5-3-8-14(16)9-6-12-17/h2-5,7-8,10-11H,6,9H2,1H3
InChIKeyWJIJPKNOZBEZTQ-UHFFFAOYSA-N
XLogP4.12
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(cyanomethyl)phenyl]propanenitrile
CID 55267785
3-(2-ethylphenyl)propanenitrile
CID 66922465
3-[2-(4-bromophenyl)phenyl]propanenitrile
CID 22565261
3-(2-methylphenyl)butanenitrile;3-(2-methylphenyl)propanenitrile
CID 159975245
4-[methyl-[2-(2-methylphenyl)ethyl]amino]butanenitrile
CID 115232074
3-[2-[2-[2-(2-cyanoethyl)phenyl]ethynyl]phenyl]propanenitrile
CID 134843592
1-methyl-2,3-bis(2-propylphenyl)benzene
CID 123997531
2-[2-(2-methylphenyl)-3-pyridinyl]acetonitrile
CID 117001881
3-(2-ethoxyphenyl)propanenitrile
CID 53434291
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
4-hydroxy-4-[4-(2-methylphenyl)phenyl]pentanenitrile
CID 21396491
3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106524317

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylphenyl)phenyl]propanenitrile?
The IUPAC name of 3-[2-(2-methylphenyl)phenyl]propanenitrile (CID 90950416) is 3-[2-(2-methylphenyl)phenyl]propanenitrile.
What is the SMILES notation for 3-[2-(2-methylphenyl)phenyl]propanenitrile?
The canonical SMILES for 3-[2-(2-methylphenyl)phenyl]propanenitrile is Cc1ccccc1-c1ccccc1CCC#N.
What is the InChIKey of 3-[2-(2-methylphenyl)phenyl]propanenitrile?
The InChIKey is WJIJPKNOZBEZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-13-7-2-4-10-15(13)16-11-5-3-8-14(16)9-6-12-17/h2-5,7-8,10-11H,6,9H2,1H3.
What are the key properties of 3-[2-(2-methylphenyl)phenyl]propanenitrile?
3-[2-(2-methylphenyl)phenyl]propanenitrile has a molecular weight of 221.30 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylphenyl)phenyl]propanenitrile is sourced from PubChem (CID 90950416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).