4-(methylamino)phenol

• ChemBase ID: 123395
• Molecular Formular: C7H9NO
• Molecular Mass: 123.15246
• Monoisotopic Mass: 123.06841391
• SMILES: c1(NC)ccc(cc1)O
• Canonical SMILES: CNc1ccc(cc1)O
• InChI: InChI=1S/C7H9NO/c1-8-6-2-4-7(9)5-3-6/h2-5,8-9H,1H3
• InChIKey: ZFIQGRISGKSVAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(methylamino)phenol
• IUPAC Traditional name: p-methylaminophenol
• Synonyms: 4-(methylamino)phenol

Database IDs

• PubChem SID: 162217748
• PubChem CID: 5931

CALCULATED PROPERTIES

• Acid pKa: 10.365575
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.47545755
• LogD (pH = 7.4): 1.1212661
• Log P: 1.1424587
• Molar Refractivity: 38.2327 cm^3
• Polarizability: 13.911617 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true