2-amino-1-(4-fluorophenyl)propan-1-ol

• ChemBase ID: 273411
• Molecular Formular: C9H12FNO
• Molecular Mass: 169.1960832
• Monoisotopic Mass: 169.09029223
• SMILES: C(c1ccc(cc1)F)(C(N)C)O
• Canonical SMILES: OC(c1ccc(cc1)F)C(N)C
• InChI: InChI=1S/C9H12FNO/c1-6(11)9(12)7-2-4-8(10)5-3-7/h2-6,9,12H,11H2,1H3
• InChIKey: NFIUKBOGCIKNNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-1-(4-fluorophenyl)propan-1-ol
• IUPAC Traditional name: 2-amino-1-(4-fluorophenyl)propan-1-ol
• Synonyms: 2-amino-1-(4-fluorophenyl)propan-1-ol

Database IDs

• MDL Number: MFCD11168265
• PubChem SID: 164329321
• PubChem CID: 43209093

CALCULATED PROPERTIES

• Acid pKa: 13.859744
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9469783
• LogD (pH = 7.4): -0.9163235
• Log P: 1.0279562
• Molar Refractivity: 45.1291 cm^3
• Polarizability: 17.652029 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 87 - 89°C
• Hydrophobicity(logP): 0.727

Product Information

• Purity: 95%