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

C19H22N2 — CID 125465888

IUPAC(2R)-4-[benzyl(methyl)amino]-2-methyl-2-phenylbutanenitrile
SMILESCN(CC[C@@](C)(C#N)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H22N2/c1-19(16-20,18-11-7-4-8-12-18)13-14-21(2)15-17-9-5-3-6-10-17/h3-12H,13-15H2,1-2H3/t19-/m0/s1
InChIKeyGRSFTZGYKHSUBO-IBGZPJMESA-N
MW278.40 g/mol
LogP3.99
Rot. Bonds6

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

(2R)-4-[benzyl(methyl)amino]-2-methyl-2-phenylbutanenitrile (PubChem CID 125465888) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (2R)-4-[benzyl(methyl)amino]-2-methyl-2-phenylbutanenitrile.

Molecular Properties

Compound Name(2R)-4-[benzyl(methyl)amino]-2-methyl-2-phenylbutanenitrile
PubChem CID125465888
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name(2R)-4-[benzyl(methyl)amino]-2-methyl-2-phenylbutanenitrile
SMILESCN(CC[C@@](C)(C#N)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H22N2/c1-19(16-20,18-11-7-4-8-12-18)13-14-21(2)15-17-9-5-3-6-10-17/h3-12H,13-15H2,1-2H3/t19-/m0/s1
InChIKeyGRSFTZGYKHSUBO-IBGZPJMESA-N
XLogP3.99
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1,1-diphenylpropan-1-ol
CID 70515525
(3-cyano-3-phenylbutyl)boronic acid
CID 154150326
2-methyl-2-phenyloctanenitrile
CID 161194132
7-[benzyl(methyl)amino]heptanenitrile
CID 10680989
3-(3-fluorophenyl)-2-methyl-2-phenylpropanenitrile
CID 82140436
5-[benzyl(methyl)amino]-2-(4-bromophenyl)-2-propan-2-ylpentanenitrile
CID 21181634
N-[3-[benzyl(methyl)amino]propyl]-2-methyl-2-phenylpropanamide
CID 46532557
3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-chlorophenyl)-1-phenylpropan-1-ol
CID 70515941
N-benzyl-N'-tert-butyl-N,N'-dimethylpropane-1,3-diamine
CID 100998037
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
N-benzyl-N-methylbut-3-en-1-amine
CID 10702410
2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanenitrile
CID 65486891

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[benzyl(methyl)amino]-2-methyl-2-phenylbutanenitrile?
The IUPAC name of (2R)-4-[benzyl(methyl)amino]-2-methyl-2-phenylbutanenitrile (CID 125465888) is (2R)-4-[benzyl(methyl)amino]-2-methyl-2-phenylbutanenitrile.
What is the SMILES notation for (2R)-4-[benzyl(methyl)amino]-2-methyl-2-phenylbutanenitrile?
The canonical SMILES for (2R)-4-[benzyl(methyl)amino]-2-methyl-2-phenylbutanenitrile is CN(CC[C@@](C)(C#N)c1ccccc1)Cc1ccccc1.
What is the InChIKey of (2R)-4-[benzyl(methyl)amino]-2-methyl-2-phenylbutanenitrile?
The InChIKey is GRSFTZGYKHSUBO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22N2/c1-19(16-20,18-11-7-4-8-12-18)13-14-21(2)15-17-9-5-3-6-10-17/h3-12H,13-15H2,1-2H3/t19-/m0/s1.
What are the key properties of (2R)-4-[benzyl(methyl)amino]-2-methyl-2-phenylbutanenitrile?
(2R)-4-[benzyl(methyl)amino]-2-methyl-2-phenylbutanenitrile has a molecular weight of 278.40 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[benzyl(methyl)amino]-2-methyl-2-phenylbutanenitrile is sourced from PubChem (CID 125465888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).