1-(4,5-dimethoxy-2-methylphenyl)-N'-ethylethane-1,2-diamine

C13H22N2O2 — CID 116934918

IUPAC1-(4,5-dimethoxy-2-methylphenyl)-N'-ethylethane-1,2-diamine
SMILESCCNCC(N)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C13H22N2O2/c1-5-15-8-11(14)10-7-13(17-4)12(16-3)6-9(10)2/h6-7,11,15H,5,8,14H2,1-4H3
InChIKeyNNMZQGZPILYHEI-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.62
Rot. Bonds6

About 1-(4,5-dimethoxy-2-methylphenyl)-N'-ethylethane-1,2-diamine

1-(4,5-dimethoxy-2-methylphenyl)-N'-ethylethane-1,2-diamine (PubChem CID 116934918) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(4,5-dimethoxy-2-methylphenyl)-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4,5-dimethoxy-2-methylphenyl)-N'-ethylethane-1,2-diamine
PubChem CID116934918
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(4,5-dimethoxy-2-methylphenyl)-N'-ethylethane-1,2-diamine
SMILESCCNCC(N)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C13H22N2O2/c1-5-15-8-11(14)10-7-13(17-4)12(16-3)6-9(10)2/h6-7,11,15H,5,8,14H2,1-4H3
InChIKeyNNMZQGZPILYHEI-UHFFFAOYSA-N
XLogP1.62
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4,5-dimethoxy-2-methylphenyl)-N'-ethylethane-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

N'-ethyl-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 116934954
1-(2,5-dimethoxy-3,4-dimethylphenyl)-N'-ethylethane-1,2-diamine
CID 116934991
N'-ethyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
CID 116934913
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
CID 116934935
1-(2,4-dimethoxy-6-methylphenyl)-N'-ethylethane-1,2-diamine
CID 116934957
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propane-1-thiol
CID 116831267
N'-ethyl-1-(2-methoxy-4-propan-2-ylphenyl)ethane-1,2-diamine
CID 116934906
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 116850956
1-(5-chloro-4-methoxy-2-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935046
1-(4,5-dimethoxy-2-methylphenyl)-N-ethylpropan-1-amine
CID 43626772
methyl 2-[2-amino-2-(4,5-dimethoxy-2-methylphenyl)ethoxy]acetate
CID 61327808
1-(1-bromopropyl)-4,5-dimethoxy-2-methylbenzene
CID 61097408

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-N'-ethylethane-1,2-diamine?
The IUPAC name of 1-(4,5-dimethoxy-2-methylphenyl)-N'-ethylethane-1,2-diamine (CID 116934918) is 1-(4,5-dimethoxy-2-methylphenyl)-N'-ethylethane-1,2-diamine.
What is the SMILES notation for 1-(4,5-dimethoxy-2-methylphenyl)-N'-ethylethane-1,2-diamine?
The canonical SMILES for 1-(4,5-dimethoxy-2-methylphenyl)-N'-ethylethane-1,2-diamine is CCNCC(N)c1cc(OC)c(OC)cc1C.
What is the InChIKey of 1-(4,5-dimethoxy-2-methylphenyl)-N'-ethylethane-1,2-diamine?
The InChIKey is NNMZQGZPILYHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-15-8-11(14)10-7-13(17-4)12(16-3)6-9(10)2/h6-7,11,15H,5,8,14H2,1-4H3.
What are the key properties of 1-(4,5-dimethoxy-2-methylphenyl)-N'-ethylethane-1,2-diamine?
1-(4,5-dimethoxy-2-methylphenyl)-N'-ethylethane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethoxy-2-methylphenyl)-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 116934918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).