2-(N-methyl-4-phenylanilino)acetonitrile

C15H14N2 — CID 115130840

IUPAC2-(N-methyl-4-phenylanilino)acetonitrile
SMILESCN(CC#N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H14N2/c1-17(12-11-16)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,12H2,1H3
InChIKeyIBKXFDBWJJEIKU-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.31
Rot. Bonds3

About 2-(N-methyl-4-phenylanilino)acetonitrile

2-(N-methyl-4-phenylanilino)acetonitrile (PubChem CID 115130840) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(N-methyl-4-phenylanilino)acetonitrile.

Molecular Properties

Compound Name2-(N-methyl-4-phenylanilino)acetonitrile
PubChem CID115130840
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name2-(N-methyl-4-phenylanilino)acetonitrile
SMILESCN(CC#N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H14N2/c1-17(12-11-16)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,12H2,1H3
InChIKeyIBKXFDBWJJEIKU-UHFFFAOYSA-N
XLogP3.31
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

1-[(N-methyl-4-phenylanilino)methyl]cyclopropane-1-carbonitrile
CID 115242095
2-[methyl-[(4-phenylphenyl)methyl]amino]acetonitrile
CID 115131083
N-benzyl-N-methyl-4-phenylaniline
CID 23459365
2-(N-methyl-4-phenylanilino)ethanethiol
CID 115223791
2-(N-methyl-4-methylsulfonylanilino)acetonitrile
CID 115130886
2-(3-chloro-N,4-dimethylanilino)acetonitrile
CID 82112115
N-[(1-aminocyclopropyl)methyl]-N-methyl-4-phenylaniline
CID 115256508
2-(N-methyl-4-phenylanilino)propanenitrile
CID 115129991
N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
3-(N,4-dimethylanilino)-2-phenylpropanenitrile
CID 64536950
bis(acetonitrile);1,1'-biphenyl
CID 175366291
1-N,2-N,2-trimethyl-1-N-(4-phenylphenyl)propane-1,2-diamine
CID 115222121

Frequently Asked Questions

What is the IUPAC name of 2-(N-methyl-4-phenylanilino)acetonitrile?
The IUPAC name of 2-(N-methyl-4-phenylanilino)acetonitrile (CID 115130840) is 2-(N-methyl-4-phenylanilino)acetonitrile.
What is the SMILES notation for 2-(N-methyl-4-phenylanilino)acetonitrile?
The canonical SMILES for 2-(N-methyl-4-phenylanilino)acetonitrile is CN(CC#N)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(N-methyl-4-phenylanilino)acetonitrile?
The InChIKey is IBKXFDBWJJEIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-17(12-11-16)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,12H2,1H3.
What are the key properties of 2-(N-methyl-4-phenylanilino)acetonitrile?
2-(N-methyl-4-phenylanilino)acetonitrile has a molecular weight of 222.29 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methyl-4-phenylanilino)acetonitrile is sourced from PubChem (CID 115130840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).