2-(2-methoxy-4,6-dimethylphenyl)-2-(methylamino)acetonitrile

C12H16N2O — CID 116955039

IUPAC2-(2-methoxy-4,6-dimethylphenyl)-2-(methylamino)acetonitrile
SMILESCNC(C#N)c1c(C)cc(C)cc1OC
InChIInChI=1S/C12H16N2O/c1-8-5-9(2)12(10(7-13)14-3)11(6-8)15-4/h5-6,10,14H,1-4H3
InChIKeyDILYNBRDIZMPNW-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.10
Rot. Bonds3

About 2-(2-methoxy-4,6-dimethylphenyl)-2-(methylamino)acetonitrile

2-(2-methoxy-4,6-dimethylphenyl)-2-(methylamino)acetonitrile (PubChem CID 116955039) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(2-methoxy-4,6-dimethylphenyl)-2-(methylamino)acetonitrile.

Molecular Properties

Compound Name2-(2-methoxy-4,6-dimethylphenyl)-2-(methylamino)acetonitrile
PubChem CID116955039
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(2-methoxy-4,6-dimethylphenyl)-2-(methylamino)acetonitrile
SMILESCNC(C#N)c1c(C)cc(C)cc1OC
InChIInChI=1S/C12H16N2O/c1-8-5-9(2)12(10(7-13)14-3)11(6-8)15-4/h5-6,10,14H,1-4H3
InChIKeyDILYNBRDIZMPNW-UHFFFAOYSA-N
XLogP2.10
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]butanenitrile
CID 116960583
(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine
CID 96670588
2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropan-1-amine
CID 106680743
3-amino-3-(2-methoxy-4,6-dimethylphenyl)propanenitrile
CID 116851261
1-cyclopropyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
CID 106680447
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine
CID 116950363
1-(2-methoxy-4,6-dimethylphenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949052
2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine
CID 106680928
4,4,4-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine
CID 106680772
1-(3,5-dibromophenyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
CID 107977995
2-methoxy-4,6-dimethylbenzonitrile
CID 50883188
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680438

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4,6-dimethylphenyl)-2-(methylamino)acetonitrile?
The IUPAC name of 2-(2-methoxy-4,6-dimethylphenyl)-2-(methylamino)acetonitrile (CID 116955039) is 2-(2-methoxy-4,6-dimethylphenyl)-2-(methylamino)acetonitrile.
What is the SMILES notation for 2-(2-methoxy-4,6-dimethylphenyl)-2-(methylamino)acetonitrile?
The canonical SMILES for 2-(2-methoxy-4,6-dimethylphenyl)-2-(methylamino)acetonitrile is CNC(C#N)c1c(C)cc(C)cc1OC.
What is the InChIKey of 2-(2-methoxy-4,6-dimethylphenyl)-2-(methylamino)acetonitrile?
The InChIKey is DILYNBRDIZMPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-5-9(2)12(10(7-13)14-3)11(6-8)15-4/h5-6,10,14H,1-4H3.
What are the key properties of 2-(2-methoxy-4,6-dimethylphenyl)-2-(methylamino)acetonitrile?
2-(2-methoxy-4,6-dimethylphenyl)-2-(methylamino)acetonitrile has a molecular weight of 204.27 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4,6-dimethylphenyl)-2-(methylamino)acetonitrile is sourced from PubChem (CID 116955039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).