3-[(phenylamino)methyl]phenol

• ChemBase ID: 312580
• Molecular Formular: C13H13NO
• Molecular Mass: 199.24842
• Monoisotopic Mass: 199.09971404
• SMILES: N(Cc1cc(O)ccc1)c1ccccc1
• Canonical SMILES: Oc1cccc(c1)CNc1ccccc1
• InChI: InChI=1S/C13H13NO/c15-13-8-4-5-11(9-13)10-14-12-6-2-1-3-7-12/h1-9,14-15H,10H2
• InChIKey: ZPLBVHYGJXHULA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(phenylamino)methyl]phenol
• IUPAC Traditional name: 3-[(phenylamino)methyl]phenol
• Synonyms: 3-(anilinomethyl)phenol

Database IDs

• CAS Number: 93189-07-2
• MDL Number: MFCD08691967

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.8557518
• LogD (pH = 7.4): 2.8626463
• Log P: 2.8669317
• Molar Refractivity: 62.8453 cm^3
• Polarizability: 23.532516 Å^3
• Polar Surface Area: 32.26 Å^2