2-benzyl-2-(3-methylanilino)butanenitrile

C18H20N2 — CID 79008566

IUPAC2-benzyl-2-(3-methylanilino)butanenitrile
SMILESCCC(C#N)(Cc1ccccc1)Nc1cccc(C)c1
InChIInChI=1S/C18H20N2/c1-3-18(14-19,13-16-9-5-4-6-10-16)20-17-11-7-8-15(2)12-17/h4-12,20H,3,13H2,1-2H3
InChIKeyOXSLCPRENORMAR-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.32
Rot. Bonds5

About 2-benzyl-2-(3-methylanilino)butanenitrile

2-benzyl-2-(3-methylanilino)butanenitrile (PubChem CID 79008566) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-benzyl-2-(3-methylanilino)butanenitrile.

Molecular Properties

Compound Name2-benzyl-2-(3-methylanilino)butanenitrile
PubChem CID79008566
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2-benzyl-2-(3-methylanilino)butanenitrile
SMILESCCC(C#N)(Cc1ccccc1)Nc1cccc(C)c1
InChIInChI=1S/C18H20N2/c1-3-18(14-19,13-16-9-5-4-6-10-16)20-17-11-7-8-15(2)12-17/h4-12,20H,3,13H2,1-2H3
InChIKeyOXSLCPRENORMAR-UHFFFAOYSA-N
XLogP4.32
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-2-(ethylamino)butanenitrile
CID 79008092
2-methyl-2-(3-methylanilino)propanenitrile
CID 60719838
2-benzyl-2-(2,2,2-trifluoroethylamino)butanenitrile
CID 79008436
acetonitrile;N-benzyl-N-ethyl-3-methylaniline;N,3-dimethylaniline
CID 158779403
bis(acetonitrile);azane;1,3-xylene
CID 70638628
ethane;3-methyl-N-tritylaniline
CID 143156765
N-(ethylselanylmethyl)-3-methylaniline
CID 10633082
2-methyl-2-(3-methylanilino)-4-phenylbutanamide
CID 61005082
2-methyl-2-(3-methylanilino)-4-phenylbutan-1-ol
CID 61047781
2-(3-chloroanilino)-2-ethylhexanenitrile
CID 63951845
2-ethyl-2-(3-methoxyanilino)pentanenitrile
CID 114079942
8-ethyl-1,3-dimethylcyclotetradeca-1,3,5,7,9,11,13-heptaene
CID 91350329

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-(3-methylanilino)butanenitrile?
The IUPAC name of 2-benzyl-2-(3-methylanilino)butanenitrile (CID 79008566) is 2-benzyl-2-(3-methylanilino)butanenitrile.
What is the SMILES notation for 2-benzyl-2-(3-methylanilino)butanenitrile?
The canonical SMILES for 2-benzyl-2-(3-methylanilino)butanenitrile is CCC(C#N)(Cc1ccccc1)Nc1cccc(C)c1.
What is the InChIKey of 2-benzyl-2-(3-methylanilino)butanenitrile?
The InChIKey is OXSLCPRENORMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-3-18(14-19,13-16-9-5-4-6-10-16)20-17-11-7-8-15(2)12-17/h4-12,20H,3,13H2,1-2H3.
What are the key properties of 2-benzyl-2-(3-methylanilino)butanenitrile?
2-benzyl-2-(3-methylanilino)butanenitrile has a molecular weight of 264.37 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-(3-methylanilino)butanenitrile is sourced from PubChem (CID 79008566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).