3,6-dimethoxy-4,5-dimethylbenzene-1,2-diamine

C10H16N2O2 — CID 18431172

IUPAC3,6-dimethoxy-4,5-dimethylbenzene-1,2-diamine
SMILESCOc1c(C)c(C)c(OC)c(N)c1N
InChIInChI=1S/C10H16N2O2/c1-5-6(2)10(14-4)8(12)7(11)9(5)13-3/h11-12H2,1-4H3
InChIKeyCLSISHXYYBFYSI-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.49
Rot. Bonds2

About 3,6-dimethoxy-4,5-dimethylbenzene-1,2-diamine

3,6-dimethoxy-4,5-dimethylbenzene-1,2-diamine (PubChem CID 18431172) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3,6-dimethoxy-4,5-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name3,6-dimethoxy-4,5-dimethylbenzene-1,2-diamine
PubChem CID18431172
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3,6-dimethoxy-4,5-dimethylbenzene-1,2-diamine
SMILESCOc1c(C)c(C)c(OC)c(N)c1N
InChIInChI=1S/C10H16N2O2/c1-5-6(2)10(14-4)8(12)7(11)9(5)13-3/h11-12H2,1-4H3
InChIKeyCLSISHXYYBFYSI-UHFFFAOYSA-N
XLogP1.49
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,6-dimethoxy-4,5-dimethylbenzene-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

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-4,5-dimethylbenzene-1,2-diamine?
The IUPAC name of 3,6-dimethoxy-4,5-dimethylbenzene-1,2-diamine (CID 18431172) is 3,6-dimethoxy-4,5-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 3,6-dimethoxy-4,5-dimethylbenzene-1,2-diamine?
The canonical SMILES for 3,6-dimethoxy-4,5-dimethylbenzene-1,2-diamine is COc1c(C)c(C)c(OC)c(N)c1N.
What is the InChIKey of 3,6-dimethoxy-4,5-dimethylbenzene-1,2-diamine?
The InChIKey is CLSISHXYYBFYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5-6(2)10(14-4)8(12)7(11)9(5)13-3/h11-12H2,1-4H3.
What are the key properties of 3,6-dimethoxy-4,5-dimethylbenzene-1,2-diamine?
3,6-dimethoxy-4,5-dimethylbenzene-1,2-diamine has a molecular weight of 196.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-4,5-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 18431172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).