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

C16H16N2 — CID 115129991

IUPAC2-(N-methyl-4-phenylanilino)propanenitrile
SMILESCC(C#N)N(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16N2/c1-13(12-17)18(2)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13H,1-2H3
InChIKeyMUCJAISPJSPDEB-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.70
Rot. Bonds3

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

2-(N-methyl-4-phenylanilino)propanenitrile (PubChem CID 115129991) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(N-methyl-4-phenylanilino)propanenitrile.

Molecular Properties

Compound Name2-(N-methyl-4-phenylanilino)propanenitrile
PubChem CID115129991
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-(N-methyl-4-phenylanilino)propanenitrile
SMILESCC(C#N)N(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16N2/c1-13(12-17)18(2)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13H,1-2H3
InChIKeyMUCJAISPJSPDEB-UHFFFAOYSA-N
XLogP3.70
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Crystal Violet
CID 11057
Imipramine
CID 3696
Malachite Green
CID 11294
Trimipramine
CID 5584
Leucomalachite green
CID 67215
Imipramine Hydrochloride
CID 8228
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Bamipine
CID 72075
Leucocrystal Violet
CID 69048
Aprindine
CID 2218
Solvent Yellow 34
CID 10298
Gentian violet cation
CID 3468

Frequently Asked Questions

What is the IUPAC name of 2-(N-methyl-4-phenylanilino)propanenitrile?
The IUPAC name of 2-(N-methyl-4-phenylanilino)propanenitrile (CID 115129991) is 2-(N-methyl-4-phenylanilino)propanenitrile.
What is the SMILES notation for 2-(N-methyl-4-phenylanilino)propanenitrile?
The canonical SMILES for 2-(N-methyl-4-phenylanilino)propanenitrile is CC(C#N)N(C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(N-methyl-4-phenylanilino)propanenitrile?
The InChIKey is MUCJAISPJSPDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-13(12-17)18(2)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13H,1-2H3.
What are the key properties of 2-(N-methyl-4-phenylanilino)propanenitrile?
2-(N-methyl-4-phenylanilino)propanenitrile has a molecular weight of 236.32 g/mol, XLogP of 3.70, 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)propanenitrile is sourced from PubChem (CID 115129991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).