2-[1-(phenylamino)ethyl]phenol

• ChemBase ID: 311598
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: c1(C(Nc2ccccc2)C)c(O)cccc1
• Canonical SMILES: CC(c1ccccc1O)Nc1ccccc1
• InChI: InChI=1S/C14H15NO/c1-11(13-9-5-6-10-14(13)16)15-12-7-3-2-4-8-12/h2-11,15-16H,1H3
• InChIKey: DBHJSOJEDRTHEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-(phenylamino)ethyl]phenol
• IUPAC Traditional name: 2-[1-(phenylamino)ethyl]phenol
• Synonyms: 2-(1-anilinoethyl)phenol

Database IDs

• CAS Number: 60399-07-7
• MDL Number: MFCD02921228

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.2759287
• LogD (pH = 7.4): 3.276667
• Log P: 3.2835069
• Molar Refractivity: 67.2641 cm^3
• Polarizability: 25.378557 Å^3
• Polar Surface Area: 32.26 Å^2