2-methoxybenzene-1,4-diamine

C7H10N2O — CID 21379

IUPAC2-methoxybenzene-1,4-diamine
SMILESCOc1cc(N)ccc1N
InChIInChI=1S/C7H10N2O/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,8-9H2,1H3
InChIKeyHGUYBLVGLMAUFF-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.86
Rot. Bonds1

About 2-methoxybenzene-1,4-diamine

2-methoxybenzene-1,4-diamine (PubChem CID 21379) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name2-methoxybenzene-1,4-diamine
PubChem CID21379
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2-methoxybenzene-1,4-diamine
SMILESCOc1cc(N)ccc1N
InChIInChI=1S/C7H10N2O/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,8-9H2,1H3
InChIKeyHGUYBLVGLMAUFF-UHFFFAOYSA-N
XLogP0.86
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxybenzene-1,4-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 2-methoxybenzene-1,4-diamine?
The IUPAC name of 2-methoxybenzene-1,4-diamine (CID 21379) is 2-methoxybenzene-1,4-diamine.
What is the SMILES notation for 2-methoxybenzene-1,4-diamine?
The canonical SMILES for 2-methoxybenzene-1,4-diamine is COc1cc(N)ccc1N.
What is the InChIKey of 2-methoxybenzene-1,4-diamine?
The InChIKey is HGUYBLVGLMAUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,8-9H2,1H3.
What are the key properties of 2-methoxybenzene-1,4-diamine?
2-methoxybenzene-1,4-diamine has a molecular weight of 138.17 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxybenzene-1,4-diamine is sourced from PubChem (CID 21379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).