3-amino-2-(methylamino)phenol

C7H10N2O — CID 3772075

IUPAC3-amino-2-(methylamino)phenol
SMILESCNc1c(N)cccc1O
InChIInChI=1S/C7H10N2O/c1-9-7-5(8)3-2-4-6(7)10/h2-4,9-10H,8H2,1H3
InChIKeyTZULHIYGGNIFGD-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.02
Rot. Bonds1

About 3-amino-2-(methylamino)phenol

3-amino-2-(methylamino)phenol (PubChem CID 3772075) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-amino-2-(methylamino)phenol.

Molecular Properties

Compound Name3-amino-2-(methylamino)phenol
PubChem CID3772075
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-amino-2-(methylamino)phenol
SMILESCNc1c(N)cccc1O
InChIInChI=1S/C7H10N2O/c1-9-7-5(8)3-2-4-6(7)10/h2-4,9-10H,8H2,1H3
InChIKeyTZULHIYGGNIFGD-UHFFFAOYSA-N
XLogP1.02
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-2-(methylamino)phenol 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-amino-2-(methylamino)phenol?
The IUPAC name of 3-amino-2-(methylamino)phenol (CID 3772075) is 3-amino-2-(methylamino)phenol.
What is the SMILES notation for 3-amino-2-(methylamino)phenol?
The canonical SMILES for 3-amino-2-(methylamino)phenol is CNc1c(N)cccc1O.
What is the InChIKey of 3-amino-2-(methylamino)phenol?
The InChIKey is TZULHIYGGNIFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-9-7-5(8)3-2-4-6(7)10/h2-4,9-10H,8H2,1H3.
What are the key properties of 3-amino-2-(methylamino)phenol?
3-amino-2-(methylamino)phenol has a molecular weight of 138.17 g/mol, XLogP of 1.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(methylamino)phenol is sourced from PubChem (CID 3772075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).