(2,6-diaminophenyl)methanol

C7H10N2O — CID 15428580

IUPAC(2,6-diaminophenyl)methanol
SMILESNc1cccc(N)c1CO
InChIInChI=1S/C7H10N2O/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4,8-9H2
InChIKeyZJRAQHULMYRRQG-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.34
Rot. Bonds1

About (2,6-diaminophenyl)methanol

(2,6-diaminophenyl)methanol (PubChem CID 15428580) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (2,6-diaminophenyl)methanol.

Molecular Properties

Compound Name(2,6-diaminophenyl)methanol
PubChem CID15428580
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(2,6-diaminophenyl)methanol
SMILESNc1cccc(N)c1CO
InChIInChI=1S/C7H10N2O/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4,8-9H2
InChIKeyZJRAQHULMYRRQG-UHFFFAOYSA-N
XLogP0.34
TPSA72.27 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 ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,6-diaminophenyl)methanol 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 (2,6-diaminophenyl)methanol?
The IUPAC name of (2,6-diaminophenyl)methanol (CID 15428580) is (2,6-diaminophenyl)methanol.
What is the SMILES notation for (2,6-diaminophenyl)methanol?
The canonical SMILES for (2,6-diaminophenyl)methanol is Nc1cccc(N)c1CO.
What is the InChIKey of (2,6-diaminophenyl)methanol?
The InChIKey is ZJRAQHULMYRRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4,8-9H2.
What are the key properties of (2,6-diaminophenyl)methanol?
(2,6-diaminophenyl)methanol has a molecular weight of 138.17 g/mol, XLogP of 0.34, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diaminophenyl)methanol is sourced from PubChem (CID 15428580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).