3-[(1-phenylethyl)amino]propan-1-ol

• ChemBase ID: 310586
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1(C(NCCCO)C)ccccc1
• Canonical SMILES: OCCCNC(c1ccccc1)C
• InChI: InChI=1S/C11H17NO/c1-10(12-8-5-9-13)11-6-3-2-4-7-11/h2-4,6-7,10,12-13H,5,8-9H2,1H3
• InChIKey: OCUYEHFIDUKNIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(1-phenylethyl)amino]propan-1-ol
• IUPAC Traditional name: 3-[(1-phenylethyl)amino]propan-1-ol
• Synonyms: 3-[(1-phenylethyl)amino]propan-1-ol

Database IDs

• CAS Number: 128218-35-9
• MDL Number: MFCD00466631

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8553307
• LogD (pH = 7.4): -0.76256996
• Log P: 1.3180274
• Molar Refractivity: 54.8825 cm^3
• Polarizability: 21.700993 Å^3
• Polar Surface Area: 32.26 Å^2