1-(2-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine

C13H22N2O — CID 116948093

IUPAC1-(2-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine
SMILESCNC(c1cc(C)cc(C)c1OC)C(C)N
InChIInChI=1S/C13H22N2O/c1-8-6-9(2)13(16-5)11(7-8)12(15-4)10(3)14/h6-7,10,12,15H,14H2,1-5H3
InChIKeyLAUOPFFMFBZHBL-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.92
Rot. Bonds4

About 1-(2-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine

1-(2-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine (PubChem CID 116948093) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(2-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(2-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine
PubChem CID116948093
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(2-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine
SMILESCNC(c1cc(C)cc(C)c1OC)C(C)N
InChIInChI=1S/C13H22N2O/c1-8-6-9(2)13(16-5)11(7-8)12(15-4)10(3)14/h6-7,10,12,15H,14H2,1-5H3
InChIKeyLAUOPFFMFBZHBL-UHFFFAOYSA-N
XLogP1.92
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine 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

1-hydrazinyl-1-(2-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 116961759
2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
2-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116960807
1-N-methyl-1-(2,4,6-trimethylphenyl)propane-1,2-diamine
CID 116948064
1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine
CID 116909094
3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 82283950
1-(2-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905593
3-amino-3-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 116938050
methyl 3-amino-3-(2-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanoate
CID 116940300
(1S,3S)-3-amino-1-(2-methoxy-3,5-dimethylphenyl)butane-1,4-diol
CID 165351519
3-(1-aminoethyl)-2-methoxy-5-methylaniline
CID 82630793
methyl 3-(2-methoxy-3,5-dimethylphenyl)-3-(methylamino)propanoate
CID 116955429

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-(2-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine (CID 116948093) is 1-(2-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-(2-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-(2-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine is CNC(c1cc(C)cc(C)c1OC)C(C)N.
What is the InChIKey of 1-(2-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine?
The InChIKey is LAUOPFFMFBZHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-8-6-9(2)13(16-5)11(7-8)12(15-4)10(3)14/h6-7,10,12,15H,14H2,1-5H3.
What are the key properties of 1-(2-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine?
1-(2-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 116948093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).