2-{[(2-fluorophenyl)methyl]amino}ethan-1-ol

• ChemBase ID: 312332
• Molecular Formular: C9H12FNO
• Molecular Mass: 169.1960832
• Monoisotopic Mass: 169.09029223
• SMILES: c1(c(F)cccc1)CNCCO
• Canonical SMILES: OCCNCc1ccccc1F
• InChI: InChI=1S/C9H12FNO/c10-9-4-2-1-3-8(9)7-11-5-6-12/h1-4,11-12H,5-7H2
• InChIKey: KQBZLORTKBGHPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(2-fluorophenyl)methyl]amino}ethan-1-ol
• IUPAC Traditional name: 2-{[(2-fluorophenyl)methyl]amino}ethanol
• Synonyms: 2-[(2-fluorobenzyl)amino]ethanol

Database IDs

• CAS Number: 64834-60-2
• MDL Number: MFCD07407478

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.767308
• LogD (pH = 7.4): -0.073071465
• Log P: 0.9841946
• Molar Refractivity: 45.8147 cm^3
• Polarizability: 17.654276 Å^3
• Polar Surface Area: 32.26 Å^2