4-[(2-phenylpropyl)amino]phenol

• ChemBase ID: 274061
• Molecular Formular: C15H17NO
• Molecular Mass: 227.30158
• Monoisotopic Mass: 227.13101417
• SMILES: N(CC(c1ccccc1)C)c1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)NCC(c1ccccc1)C
• InChI: InChI=1S/C15H17NO/c1-12(13-5-3-2-4-6-13)11-16-14-7-9-15(17)10-8-14/h2-10,12,16-17H,11H2,1H3
• InChIKey: CSZPBUGVQISWMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2-phenylpropyl)amino]phenol
• IUPAC Traditional name: 4-[(2-phenylpropyl)amino]phenol
• Synonyms: 4-[(2-phenylpropyl)amino]phenol

Database IDs

• MDL Number: MFCD11058441
• PubChem SID: 164329971
• PubChem CID: 18778567

CALCULATED PROPERTIES

• Acid pKa: 10.353779
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7117498
• LogD (pH = 7.4): 3.489367
• Log P: 3.5205657
• Molar Refractivity: 72.0719 cm^3
• Polarizability: 27.146563 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.47

Product Information

• Purity: 95%