3,4,6-trimethoxybenzene-1,2-diamine

C9H14N2O3 — CID 14975826

IUPAC3,4,6-trimethoxybenzene-1,2-diamine
SMILESCOc1cc(OC)c(OC)c(N)c1N
InChIInChI=1S/C9H14N2O3/c1-12-5-4-6(13-2)9(14-3)8(11)7(5)10/h4H,10-11H2,1-3H3
InChIKeyPMAWLZIRCMASHG-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.88
Rot. Bonds3

About 3,4,6-trimethoxybenzene-1,2-diamine

3,4,6-trimethoxybenzene-1,2-diamine (PubChem CID 14975826) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3,4,6-trimethoxybenzene-1,2-diamine.

Molecular Properties

Compound Name3,4,6-trimethoxybenzene-1,2-diamine
PubChem CID14975826
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3,4,6-trimethoxybenzene-1,2-diamine
SMILESCOc1cc(OC)c(OC)c(N)c1N
InChIInChI=1S/C9H14N2O3/c1-12-5-4-6(13-2)9(14-3)8(11)7(5)10/h4H,10-11H2,1-3H3
InChIKeyPMAWLZIRCMASHG-UHFFFAOYSA-N
XLogP0.88
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3,4,6-trimethoxybenzene-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

2,3,5,6-tetramethoxyaniline
CID 19093015
2,4,6-trimethoxynaphthalen-1-amine
CID 123693588
4,5-dimethoxy-3-methylbenzene-1,2-diamine
CID 13006980
3-amino-2,4,5-trimethoxybenzoic acid
CID 63023847
6-methoxy-3,4-dimethylbenzene-1,2-diamine
CID 151295831
3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diamine
CID 22349249
2,3-dimethoxy-5-methylaniline
CID 14263216
2,5,8,11,20-pentamethoxyhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene
CID 102452050
6,7-dimethoxy-1-methylisoquinolin-5-amine
CID 86217778
methyl 2-amino-6-hydroxy-3,4-dimethoxybenzoate
CID 84691006
1-(5-amino-2,3-dimethoxyphenyl)ethanone
CID 142498186
(3-amino-2,4,6-trimethoxyphenyl)methyl acetate
CID 134894740

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethoxybenzene-1,2-diamine?
The IUPAC name of 3,4,6-trimethoxybenzene-1,2-diamine (CID 14975826) is 3,4,6-trimethoxybenzene-1,2-diamine.
What is the SMILES notation for 3,4,6-trimethoxybenzene-1,2-diamine?
The canonical SMILES for 3,4,6-trimethoxybenzene-1,2-diamine is COc1cc(OC)c(OC)c(N)c1N.
What is the InChIKey of 3,4,6-trimethoxybenzene-1,2-diamine?
The InChIKey is PMAWLZIRCMASHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-12-5-4-6(13-2)9(14-3)8(11)7(5)10/h4H,10-11H2,1-3H3.
What are the key properties of 3,4,6-trimethoxybenzene-1,2-diamine?
3,4,6-trimethoxybenzene-1,2-diamine has a molecular weight of 198.22 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethoxybenzene-1,2-diamine is sourced from PubChem (CID 14975826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).