2-[(2-methoxy-N,4,6-trimethylanilino)methyl]-3-methylbutanenitrile

C16H24N2O — CID 115254389

IUPAC2-[(2-methoxy-N,4,6-trimethylanilino)methyl]-3-methylbutanenitrile
SMILESCOc1cc(C)cc(C)c1N(C)CC(C#N)C(C)C
InChIInChI=1S/C16H24N2O/c1-11(2)14(9-17)10-18(5)16-13(4)7-12(3)8-15(16)19-6/h7-8,11,14H,10H2,1-6H3
InChIKeyHFEHJADNUPVKML-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.54
Rot. Bonds5

About 2-[(2-methoxy-N,4,6-trimethylanilino)methyl]-3-methylbutanenitrile

2-[(2-methoxy-N,4,6-trimethylanilino)methyl]-3-methylbutanenitrile (PubChem CID 115254389) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[(2-methoxy-N,4,6-trimethylanilino)methyl]-3-methylbutanenitrile.

Molecular Properties

Compound Name2-[(2-methoxy-N,4,6-trimethylanilino)methyl]-3-methylbutanenitrile
PubChem CID115254389
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[(2-methoxy-N,4,6-trimethylanilino)methyl]-3-methylbutanenitrile
SMILESCOc1cc(C)cc(C)c1N(C)CC(C#N)C(C)C
InChIInChI=1S/C16H24N2O/c1-11(2)14(9-17)10-18(5)16-13(4)7-12(3)8-15(16)19-6/h7-8,11,14H,10H2,1-6H3
InChIKeyHFEHJADNUPVKML-UHFFFAOYSA-N
XLogP3.54
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(2-methoxy-N,4,6-trimethylanilino)methyl]-3-methylbutanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxy-N,4,6-trimethylanilino)propanenitrile
CID 115130049
4-(2-methoxy-N,4,6-trimethylanilino)butanenitrile
CID 115231605
1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine
CID 115199192
N-(bromomethyl)-2-methoxy-N,4,6-trimethylaniline
CID 115261763
2-[(3-fluoro-4-methoxy-N-methylanilino)methyl]-3-methylbutanenitrile
CID 115254343
3-(2-methoxy-N,4,6-trimethylanilino)propane-1-thiol
CID 115224772
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,4,6-trimethylaniline
CID 115244018
2-(2-methoxy-4,6-dimethylphenyl)-2-(methylamino)acetonitrile
CID 116955039
(2-methoxy-4,6-dimethylphenyl)methyl-methylcyanamide
CID 117043386
2-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]butanenitrile
CID 116960583
1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196463
2-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-3-methylbutanenitrile
CID 115254550

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-N,4,6-trimethylanilino)methyl]-3-methylbutanenitrile?
The IUPAC name of 2-[(2-methoxy-N,4,6-trimethylanilino)methyl]-3-methylbutanenitrile (CID 115254389) is 2-[(2-methoxy-N,4,6-trimethylanilino)methyl]-3-methylbutanenitrile.
What is the SMILES notation for 2-[(2-methoxy-N,4,6-trimethylanilino)methyl]-3-methylbutanenitrile?
The canonical SMILES for 2-[(2-methoxy-N,4,6-trimethylanilino)methyl]-3-methylbutanenitrile is COc1cc(C)cc(C)c1N(C)CC(C#N)C(C)C.
What is the InChIKey of 2-[(2-methoxy-N,4,6-trimethylanilino)methyl]-3-methylbutanenitrile?
The InChIKey is HFEHJADNUPVKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(2)14(9-17)10-18(5)16-13(4)7-12(3)8-15(16)19-6/h7-8,11,14H,10H2,1-6H3.
What are the key properties of 2-[(2-methoxy-N,4,6-trimethylanilino)methyl]-3-methylbutanenitrile?
2-[(2-methoxy-N,4,6-trimethylanilino)methyl]-3-methylbutanenitrile has a molecular weight of 260.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-N,4,6-trimethylanilino)methyl]-3-methylbutanenitrile is sourced from PubChem (CID 115254389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).