1-(2,5-dimethoxy-3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine

C15H26N2O2 — CID 116855775

IUPAC1-(2,5-dimethoxy-3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCNCC(c1cc(OC)c(C)c(C)c1OC)N(C)C
InChIInChI=1S/C15H26N2O2/c1-10-11(2)15(19-7)12(8-14(10)18-6)13(9-16-3)17(4)5/h8,13,16H,9H2,1-7H3
InChIKeyDQEKIWUCVYKDIN-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.14
Rot. Bonds6

About 1-(2,5-dimethoxy-3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine

1-(2,5-dimethoxy-3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 116855775) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-dimethoxy-3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID116855775
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(2,5-dimethoxy-3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCNCC(c1cc(OC)c(C)c(C)c1OC)N(C)C
InChIInChI=1S/C15H26N2O2/c1-10-11(2)15(19-7)12(8-14(10)18-6)13(9-16-3)17(4)5/h8,13,16H,9H2,1-7H3
InChIKeyDQEKIWUCVYKDIN-UHFFFAOYSA-N
XLogP2.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dimethoxy-3,4-dimethylphenyl)-N,N,N'-trimethylethane-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

(2,5-dimethoxy-3,4-dimethylphenyl)-(methylamino)methanol
CID 116954760
1-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-ethylethane-1,2-diamine
CID 116934991
3-(2,5-dimethoxy-3,4-dimethylphenyl)-3-(methylamino)propan-1-ol
CID 116952894
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)butanoate
CID 116964458
1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116906021
2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)-N-methylacetamide
CID 116850472
N'-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 116905902
2-(4-methoxy-2,3,6-trimethylphenyl)-3-(methylamino)propan-1-ol
CID 116835551
1-(3,4-dimethoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 117323942
N-methyl-2-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 112514037
2-amino-2-(2,5-dimethoxy-3,4-dimethylphenyl)acetohydrazide
CID 116848546
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol
CID 117489349

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of 1-(2,5-dimethoxy-3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine (CID 116855775) is 1-(2,5-dimethoxy-3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-dimethoxy-3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for 1-(2,5-dimethoxy-3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine is CNCC(c1cc(OC)c(C)c(C)c1OC)N(C)C.
What is the InChIKey of 1-(2,5-dimethoxy-3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is DQEKIWUCVYKDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-10-11(2)15(19-7)12(8-14(10)18-6)13(9-16-3)17(4)5/h8,13,16H,9H2,1-7H3.
What are the key properties of 1-(2,5-dimethoxy-3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine?
1-(2,5-dimethoxy-3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 116855775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).