2-(2-phenylanilino)propanenitrile

C15H14N2 — CID 54941632

IUPAC2-(2-phenylanilino)propanenitrile
SMILESCC(C#N)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C15H14N2/c1-12(11-16)17-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10,12,17H,1H3
InChIKeyJMGZYGXAMLLFHP-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.68
Rot. Bonds3

About 2-(2-phenylanilino)propanenitrile

2-(2-phenylanilino)propanenitrile (PubChem CID 54941632) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(2-phenylanilino)propanenitrile.

Molecular Properties

Compound Name2-(2-phenylanilino)propanenitrile
PubChem CID54941632
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name2-(2-phenylanilino)propanenitrile
SMILESCC(C#N)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C15H14N2/c1-12(11-16)17-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10,12,17H,1H3
InChIKeyJMGZYGXAMLLFHP-UHFFFAOYSA-N
XLogP3.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-phenylanilino)butanenitrile
CID 60913959
2-phenyl-N-(1-phenylethyl)aniline
CID 43078706
2-(naphthalen-1-ylamino)propanenitrile
CID 57213700
2-(2-benzylanilino)propanenitrile
CID 54941633
1-(2-phenylanilino)ethanesulfonic acid
CID 174617954
methyl 2-(2-phenylanilino)propanoate
CID 54941069
2-(2-phenylanilino)ethene-1,1,2-tricarbonitrile
CID 168606413
3,3,3-trifluoro-2-[(2-phenylanilino)methyl]propanenitrile
CID 103366890
1-N,2-N-bis(2-phenylphenyl)benzene-1,2-diamine
CID 22968504
2-(2-phenylanilino)pentanoic acid
CID 83037413
(2R)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide
CID 7964177
(2S)-2-(3-cyanophenoxy)-N-(2-phenylphenyl)propanamide
CID 7964176

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylanilino)propanenitrile?
The IUPAC name of 2-(2-phenylanilino)propanenitrile (CID 54941632) is 2-(2-phenylanilino)propanenitrile.
What is the SMILES notation for 2-(2-phenylanilino)propanenitrile?
The canonical SMILES for 2-(2-phenylanilino)propanenitrile is CC(C#N)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-(2-phenylanilino)propanenitrile?
The InChIKey is JMGZYGXAMLLFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-12(11-16)17-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10,12,17H,1H3.
What are the key properties of 2-(2-phenylanilino)propanenitrile?
2-(2-phenylanilino)propanenitrile has a molecular weight of 222.29 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylanilino)propanenitrile is sourced from PubChem (CID 54941632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).