4-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)butanenitrile

C14H20N2O — CID 116955312

IUPAC4-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)butanenitrile
SMILESCNC(CCC#N)c1cc(C)cc(C)c1OC
InChIInChI=1S/C14H20N2O/c1-10-8-11(2)14(17-4)12(9-10)13(16-3)6-5-7-15/h8-9,13,16H,5-6H2,1-4H3
InChIKeyLZCHHOGBYSVIAH-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.88
Rot. Bonds5

About 4-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)butanenitrile

4-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)butanenitrile (PubChem CID 116955312) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)butanenitrile.

Molecular Properties

Compound Name4-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)butanenitrile
PubChem CID116955312
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)butanenitrile
SMILESCNC(CCC#N)c1cc(C)cc(C)c1OC
InChIInChI=1S/C14H20N2O/c1-10-8-11(2)14(17-4)12(9-10)13(16-3)6-5-7-15/h8-9,13,16H,5-6H2,1-4H3
InChIKeyLZCHHOGBYSVIAH-UHFFFAOYSA-N
XLogP2.88
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2-methoxy-3,5-dimethylphenyl)-3-(methylamino)propanoate
CID 116955429
1-hydrazinyl-1-(2-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 116961759
4-(dimethylamino)-4-(4-methoxy-2,3,5-trimethylphenyl)butanenitrile
CID 116910085
2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
1-(2-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948093
3-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-(methylamino)propan-1-ol
CID 112512927
3-(2-methoxy-5-methylphenyl)-3-(methylamino)propanenitrile
CID 116955091
4-(2,4-dichlorophenyl)-4-(methylamino)butanenitrile
CID 116955362
2-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116960807
1-(2-methoxy-3,5-dimethylphenyl)-N,N,2-trimethylbutane-1,4-diamine
CID 116905379
3-(2-methoxy-N,3,5-trimethylanilino)propanenitrile
CID 115230771
4-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]butanenitrile
CID 115231823

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)butanenitrile?
The IUPAC name of 4-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)butanenitrile (CID 116955312) is 4-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)butanenitrile.
What is the SMILES notation for 4-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)butanenitrile?
The canonical SMILES for 4-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)butanenitrile is CNC(CCC#N)c1cc(C)cc(C)c1OC.
What is the InChIKey of 4-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)butanenitrile?
The InChIKey is LZCHHOGBYSVIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-8-11(2)14(17-4)12(9-10)13(16-3)6-5-7-15/h8-9,13,16H,5-6H2,1-4H3.
What are the key properties of 4-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)butanenitrile?
4-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)butanenitrile has a molecular weight of 232.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)butanenitrile is sourced from PubChem (CID 116955312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).