2-(2,4-diaminophenyl)-5-methylphenol

C13H14N2O — CID 22061914

IUPAC2-(2,4-diaminophenyl)-5-methylphenol
SMILESCc1ccc(-c2ccc(N)cc2N)c(O)c1
InChIInChI=1S/C13H14N2O/c1-8-2-4-11(13(16)6-8)10-5-3-9(14)7-12(10)15/h2-7,16H,14-15H2,1H3
InChIKeyLXHLTHWNABBXGB-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.53
Rot. Bonds1

About 2-(2,4-diaminophenyl)-5-methylphenol

2-(2,4-diaminophenyl)-5-methylphenol (PubChem CID 22061914) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(2,4-diaminophenyl)-5-methylphenol.

Molecular Properties

Compound Name2-(2,4-diaminophenyl)-5-methylphenol
PubChem CID22061914
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-(2,4-diaminophenyl)-5-methylphenol
SMILESCc1ccc(-c2ccc(N)cc2N)c(O)c1
InChIInChI=1S/C13H14N2O/c1-8-2-4-11(13(16)6-8)10-5-3-9(14)7-12(10)15/h2-7,16H,14-15H2,1H3
InChIKeyLXHLTHWNABBXGB-UHFFFAOYSA-N
XLogP2.53
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,4-diaminophenyl)-5-methylphenol 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-(2,4-diaminophenyl)-5-methylphenol?
The IUPAC name of 2-(2,4-diaminophenyl)-5-methylphenol (CID 22061914) is 2-(2,4-diaminophenyl)-5-methylphenol.
What is the SMILES notation for 2-(2,4-diaminophenyl)-5-methylphenol?
The canonical SMILES for 2-(2,4-diaminophenyl)-5-methylphenol is Cc1ccc(-c2ccc(N)cc2N)c(O)c1.
What is the InChIKey of 2-(2,4-diaminophenyl)-5-methylphenol?
The InChIKey is LXHLTHWNABBXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-8-2-4-11(13(16)6-8)10-5-3-9(14)7-12(10)15/h2-7,16H,14-15H2,1H3.
What are the key properties of 2-(2,4-diaminophenyl)-5-methylphenol?
2-(2,4-diaminophenyl)-5-methylphenol has a molecular weight of 214.27 g/mol, XLogP of 2.53, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diaminophenyl)-5-methylphenol is sourced from PubChem (CID 22061914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).