2-[benzyl(methyl)amino]-4-phenylbutanenitrile

C18H20N2 — CID 11161390

IUPAC2-[benzyl(methyl)amino]-4-phenylbutanenitrile
SMILESCN(Cc1ccccc1)C(C#N)CCc1ccccc1
InChIInChI=1S/C18H20N2/c1-20(15-17-10-6-3-7-11-17)18(14-19)13-12-16-8-4-2-5-9-16/h2-11,18H,12-13,15H2,1H3
InChIKeyVGTLSJQNCXAELV-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.64
Rot. Bonds6

About 2-[benzyl(methyl)amino]-4-phenylbutanenitrile

2-[benzyl(methyl)amino]-4-phenylbutanenitrile (PubChem CID 11161390) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-4-phenylbutanenitrile.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-4-phenylbutanenitrile
PubChem CID11161390
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2-[benzyl(methyl)amino]-4-phenylbutanenitrile
SMILESCN(Cc1ccccc1)C(C#N)CCc1ccccc1
InChIInChI=1S/C18H20N2/c1-20(15-17-10-6-3-7-11-17)18(14-19)13-12-16-8-4-2-5-9-16/h2-11,18H,12-13,15H2,1H3
InChIKeyVGTLSJQNCXAELV-UHFFFAOYSA-N
XLogP3.64
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-methylbutan-2-amine
CID 15496809
2-(dibenzylamino)-3-phenylpropanenitrile
CID 135017556
2-amino-4-phenylbutanenitrile
CID 11159479
(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292
2-[benzyl(methyl)amino]-2-[4-(dimethylamino)phenyl]acetonitrile
CID 84757296
(2S,3R)-2-[benzyl(methyl)amino]-3-phenylpentanedinitrile
CID 101450206
[(1S)-1-cyano-3-phenylpropyl] N,N-dimethylcarbamate
CID 56964806
N-benzyl-N,2-dimethyl-4-phenylbutan-1-amine
CID 162416433
2-N-[(4-bromophenyl)methyl]-2-N-methyl-4-phenylbutane-1,2-diamine
CID 62879729
2-N-methyl-4-phenyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 62880068
2-(methoxymethyl)-4-phenylbutanenitrile
CID 134862726
2-(methylaminomethyl)-4-phenylbutanenitrile
CID 129015746

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-4-phenylbutanenitrile?
The IUPAC name of 2-[benzyl(methyl)amino]-4-phenylbutanenitrile (CID 11161390) is 2-[benzyl(methyl)amino]-4-phenylbutanenitrile.
What is the SMILES notation for 2-[benzyl(methyl)amino]-4-phenylbutanenitrile?
The canonical SMILES for 2-[benzyl(methyl)amino]-4-phenylbutanenitrile is CN(Cc1ccccc1)C(C#N)CCc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-4-phenylbutanenitrile?
The InChIKey is VGTLSJQNCXAELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-20(15-17-10-6-3-7-11-17)18(14-19)13-12-16-8-4-2-5-9-16/h2-11,18H,12-13,15H2,1H3.
What are the key properties of 2-[benzyl(methyl)amino]-4-phenylbutanenitrile?
2-[benzyl(methyl)amino]-4-phenylbutanenitrile has a molecular weight of 264.37 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-4-phenylbutanenitrile is sourced from PubChem (CID 11161390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).