3,4-diamino-2-(hydroxymethyl)phenol

C7H10N2O2 — CID 69421577

IUPAC3,4-diamino-2-(hydroxymethyl)phenol
SMILESNc1ccc(O)c(CO)c1N
InChIInChI=1S/C7H10N2O2/c8-5-1-2-6(11)4(3-10)7(5)9/h1-2,10-11H,3,8-9H2
InChIKeyBZFKNDPASBJDMP-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.05
Rot. Bonds1

About 3,4-diamino-2-(hydroxymethyl)phenol

3,4-diamino-2-(hydroxymethyl)phenol (PubChem CID 69421577) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3,4-diamino-2-(hydroxymethyl)phenol.

Molecular Properties

Compound Name3,4-diamino-2-(hydroxymethyl)phenol
PubChem CID69421577
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3,4-diamino-2-(hydroxymethyl)phenol
SMILESNc1ccc(O)c(CO)c1N
InChIInChI=1S/C7H10N2O2/c8-5-1-2-6(11)4(3-10)7(5)9/h1-2,10-11H,3,8-9H2
InChIKeyBZFKNDPASBJDMP-UHFFFAOYSA-N
XLogP0.05
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-2-(hydroxymethyl)phenol?
The IUPAC name of 3,4-diamino-2-(hydroxymethyl)phenol (CID 69421577) is 3,4-diamino-2-(hydroxymethyl)phenol.
What is the SMILES notation for 3,4-diamino-2-(hydroxymethyl)phenol?
The canonical SMILES for 3,4-diamino-2-(hydroxymethyl)phenol is Nc1ccc(O)c(CO)c1N.
What is the InChIKey of 3,4-diamino-2-(hydroxymethyl)phenol?
The InChIKey is BZFKNDPASBJDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c8-5-1-2-6(11)4(3-10)7(5)9/h1-2,10-11H,3,8-9H2.
What are the key properties of 3,4-diamino-2-(hydroxymethyl)phenol?
3,4-diamino-2-(hydroxymethyl)phenol has a molecular weight of 154.17 g/mol, XLogP of 0.05, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-2-(hydroxymethyl)phenol is sourced from PubChem (CID 69421577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).