2-(2-benzylanilino)propanenitrile

C16H16N2 — CID 54941633

IUPAC2-(2-benzylanilino)propanenitrile
SMILESCC(C#N)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C16H16N2/c1-13(12-17)18-16-10-6-5-9-15(16)11-14-7-3-2-4-8-14/h2-10,13,18H,11H2,1H3
InChIKeyZYKHUTRNAGYMKX-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.60
Rot. Bonds4

About 2-(2-benzylanilino)propanenitrile

2-(2-benzylanilino)propanenitrile (PubChem CID 54941633) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(2-benzylanilino)propanenitrile.

Molecular Properties

Compound Name2-(2-benzylanilino)propanenitrile
PubChem CID54941633
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-(2-benzylanilino)propanenitrile
SMILESCC(C#N)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C16H16N2/c1-13(12-17)18-16-10-6-5-9-15(16)11-14-7-3-2-4-8-14/h2-10,13,18H,11H2,1H3
InChIKeyZYKHUTRNAGYMKX-UHFFFAOYSA-N
XLogP3.60
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-N-propan-2-ylaniline
CID 13262632
2-(2-benzylanilino)-N-methylpropanamide
CID 43085479
2-benzyl-N-pentan-3-ylaniline
CID 29272087
2-(2-phenylanilino)propanenitrile
CID 54941632
2-(naphthalen-1-ylamino)propanenitrile
CID 57213700
4-(2-benzylanilino)butanenitrile
CID 28578029
2-benzyl-N-(dicyclopropylmethyl)aniline
CID 43362769
1-(2-benzylanilino)propan-2-ol
CID 60884761
(2S)-1-N-(2-benzylphenyl)propane-1,2-diamine
CID 112736608
(2R)-2-(benzylamino)propanenitrile
CID 28702462
2-N-(2-benzylphenyl)-1-N-ethylbutane-1,2-diamine
CID 143127936
N-(2-benzylphenyl)thiohydroxylamine
CID 88608695

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylanilino)propanenitrile?
The IUPAC name of 2-(2-benzylanilino)propanenitrile (CID 54941633) is 2-(2-benzylanilino)propanenitrile.
What is the SMILES notation for 2-(2-benzylanilino)propanenitrile?
The canonical SMILES for 2-(2-benzylanilino)propanenitrile is CC(C#N)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of 2-(2-benzylanilino)propanenitrile?
The InChIKey is ZYKHUTRNAGYMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-13(12-17)18-16-10-6-5-9-15(16)11-14-7-3-2-4-8-14/h2-10,13,18H,11H2,1H3.
What are the key properties of 2-(2-benzylanilino)propanenitrile?
2-(2-benzylanilino)propanenitrile has a molecular weight of 236.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylanilino)propanenitrile is sourced from PubChem (CID 54941633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).