2,4-diamino-6-methylphenol

C7H10N2O — CID 27520

IUPAC2,4-diamino-6-methylphenol
SMILESCc1cc(N)cc(N)c1O
InChIInChI=1S/C7H10N2O/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,8-9H2,1H3
InChIKeyWSVFDPKNANXQKM-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.87
Rot. Bonds

About 2,4-diamino-6-methylphenol

2,4-diamino-6-methylphenol (PubChem CID 27520) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2,4-diamino-6-methylphenol.

Molecular Properties

Compound Name2,4-diamino-6-methylphenol
PubChem CID27520
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2,4-diamino-6-methylphenol
SMILESCc1cc(N)cc(N)c1O
InChIInChI=1S/C7H10N2O/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,8-9H2,1H3
InChIKeyWSVFDPKNANXQKM-UHFFFAOYSA-N
XLogP0.87
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.87
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'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-methylphenol?
The IUPAC name of 2,4-diamino-6-methylphenol (CID 27520) is 2,4-diamino-6-methylphenol.
What is the SMILES notation for 2,4-diamino-6-methylphenol?
The canonical SMILES for 2,4-diamino-6-methylphenol is Cc1cc(N)cc(N)c1O.
What is the InChIKey of 2,4-diamino-6-methylphenol?
The InChIKey is WSVFDPKNANXQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,8-9H2,1H3.
What are the key properties of 2,4-diamino-6-methylphenol?
2,4-diamino-6-methylphenol has a molecular weight of 138.17 g/mol, XLogP of 0.87, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-methylphenol is sourced from PubChem (CID 27520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).