2-[4-(1-phenylethyl)phenyl]acetonitrile

C16H15N — CID 22408223

IUPAC2-[4-(1-phenylethyl)phenyl]acetonitrile
SMILESCC(c1ccccc1)c1ccc(CC#N)cc1
InChIInChI=1S/C16H15N/c1-13(15-5-3-2-4-6-15)16-9-7-14(8-10-16)11-12-17/h2-10,13H,11H2,1H3
InChIKeyNPPZKZIGLXFKKX-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.90
Rot. Bonds3

About 2-[4-(1-phenylethyl)phenyl]acetonitrile

2-[4-(1-phenylethyl)phenyl]acetonitrile (PubChem CID 22408223) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[4-(1-phenylethyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(1-phenylethyl)phenyl]acetonitrile
PubChem CID22408223
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name2-[4-(1-phenylethyl)phenyl]acetonitrile
SMILESCC(c1ccccc1)c1ccc(CC#N)cc1
InChIInChI=1S/C16H15N/c1-13(15-5-3-2-4-6-15)16-9-7-14(8-10-16)11-12-17/h2-10,13H,11H2,1H3
InChIKeyNPPZKZIGLXFKKX-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[4-(1-phenylethyl)phenyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-propan-2-ylphenyl)phenyl]acetonitrile
CID 82083442
2-[4-(cyanomethyl)phenyl]propanoic acid
CID 66893390
4-[(1R)-1-phenylethyl]benzonitrile
CID 118361850
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
N-[4-(cyanomethyl)phenyl]-2-phenylpropanamide
CID 104916745
ethanol;2-phenylacetonitrile
CID 70378956
1-phenylethylbenzene;stibane
CID 174965918
ethane;1-phenylethylbenzene
CID 164998811
N,N-dimethyl-1-[4-(1-phenylethyl)phenyl]methanamine
CID 83382566
ethane;2-(4-ethylphenyl)acetonitrile
CID 143828452
pentane;2-phenylacetonitrile
CID 175401788

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-phenylethyl)phenyl]acetonitrile?
The IUPAC name of 2-[4-(1-phenylethyl)phenyl]acetonitrile (CID 22408223) is 2-[4-(1-phenylethyl)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(1-phenylethyl)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(1-phenylethyl)phenyl]acetonitrile is CC(c1ccccc1)c1ccc(CC#N)cc1.
What is the InChIKey of 2-[4-(1-phenylethyl)phenyl]acetonitrile?
The InChIKey is NPPZKZIGLXFKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-13(15-5-3-2-4-6-15)16-9-7-14(8-10-16)11-12-17/h2-10,13H,11H2,1H3.
What are the key properties of 2-[4-(1-phenylethyl)phenyl]acetonitrile?
2-[4-(1-phenylethyl)phenyl]acetonitrile has a molecular weight of 221.30 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-phenylethyl)phenyl]acetonitrile is sourced from PubChem (CID 22408223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).