[4-(aminomethyl)-2-fluorophenyl]methanol

• ChemBase ID: 262246
• Molecular Formular: C8H10FNO
• Molecular Mass: 155.1695032
• Monoisotopic Mass: 155.07464217
• SMILES: c1(c(ccc(c1)CN)CO)F
• Canonical SMILES: NCc1ccc(c(c1)F)CO
• InChI: InChI=1S/C8H10FNO/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,11H,4-5,10H2
• InChIKey: YSIFHBZGHVOVAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(aminomethyl)-2-fluorophenyl]methanol
• IUPAC Traditional name: [4-(aminomethyl)-2-fluorophenyl]methanol
• Synonyms: [4-(aminomethyl)-2-fluorophenyl]methanol

Database IDs

• MDL Number: MFCD09927420
• PubChem SID: 164318156
• PubChem CID: 43165042

CALCULATED PROPERTIES

• Acid pKa: 14.533019
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.491568
• LogD (pH = 7.4): -1.4086285
• Log P: 0.47436643
• Molar Refractivity: 41.5637 cm^3
• Polarizability: 15.8131695 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 82 - 84°C
• Hydrophobicity(logP): 0.199

Product Information

• Purity: 95%