2-(2-methoxy-N,4,6-trimethylanilino)propanenitrile

C13H18N2O — CID 115130049

IUPAC2-(2-methoxy-N,4,6-trimethylanilino)propanenitrile
SMILESCOc1cc(C)cc(C)c1N(C)C(C)C#N
InChIInChI=1S/C13H18N2O/c1-9-6-10(2)13(12(7-9)16-5)15(4)11(3)8-14/h6-7,11H,1-5H3
InChIKeyZVNRUZJDKNJAIV-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.66
Rot. Bonds3

About 2-(2-methoxy-N,4,6-trimethylanilino)propanenitrile

2-(2-methoxy-N,4,6-trimethylanilino)propanenitrile (PubChem CID 115130049) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(2-methoxy-N,4,6-trimethylanilino)propanenitrile.

Molecular Properties

Compound Name2-(2-methoxy-N,4,6-trimethylanilino)propanenitrile
PubChem CID115130049
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(2-methoxy-N,4,6-trimethylanilino)propanenitrile
SMILESCOc1cc(C)cc(C)c1N(C)C(C)C#N
InChIInChI=1S/C13H18N2O/c1-9-6-10(2)13(12(7-9)16-5)15(4)11(3)8-14/h6-7,11H,1-5H3
InChIKeyZVNRUZJDKNJAIV-UHFFFAOYSA-N
XLogP2.66
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxy-N,4,6-trimethylanilino)methyl]-3-methylbutanenitrile
CID 115254389
2-(5-chloro-2-methoxy-N,4-dimethylanilino)propanenitrile
CID 115130001
4-(2-methoxy-N,4,6-trimethylanilino)butanenitrile
CID 115231605
2-(N,2,4-trimethylanilino)propanenitrile
CID 115129965
2-methoxy-4,6-dimethylbenzonitrile
CID 50883188
N-(bromomethyl)-2-methoxy-N,4,6-trimethylaniline
CID 115261763
2-(2,5-dimethoxy-N-methyl-4-methylsulfanylanilino)propanenitrile
CID 115130098
1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine
CID 115199192
2-(5-fluoro-2-methoxy-N-methylanilino)propanenitrile
CID 115129963
2-(2-methoxy-4,6-dimethylphenyl)-2-(methylamino)acetonitrile
CID 116955039
(2-methoxy-4,6-dimethylphenyl)methyl-methylcyanamide
CID 117043386
2-(5-tert-butyl-2-methoxy-N-methylanilino)propanenitrile
CID 115129971

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N,4,6-trimethylanilino)propanenitrile?
The IUPAC name of 2-(2-methoxy-N,4,6-trimethylanilino)propanenitrile (CID 115130049) is 2-(2-methoxy-N,4,6-trimethylanilino)propanenitrile.
What is the SMILES notation for 2-(2-methoxy-N,4,6-trimethylanilino)propanenitrile?
The canonical SMILES for 2-(2-methoxy-N,4,6-trimethylanilino)propanenitrile is COc1cc(C)cc(C)c1N(C)C(C)C#N.
What is the InChIKey of 2-(2-methoxy-N,4,6-trimethylanilino)propanenitrile?
The InChIKey is ZVNRUZJDKNJAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-6-10(2)13(12(7-9)16-5)15(4)11(3)8-14/h6-7,11H,1-5H3.
What are the key properties of 2-(2-methoxy-N,4,6-trimethylanilino)propanenitrile?
2-(2-methoxy-N,4,6-trimethylanilino)propanenitrile has a molecular weight of 218.30 g/mol, XLogP of 2.66, 3 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)propanenitrile is sourced from PubChem (CID 115130049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).