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

• ChemBase ID: 312450
• Molecular Formular: C11H16FNO
• Molecular Mass: 197.2492432
• Monoisotopic Mass: 197.12159236
• SMILES: c1(CNC(CO)(C)C)c(F)cccc1
• Canonical SMILES: OCC(NCc1ccccc1F)(C)C
• InChI: InChI=1S/C11H16FNO/c1-11(2,8-14)13-7-9-5-3-4-6-10(9)12/h3-6,13-14H,7-8H2,1-2H3
• InChIKey: XSAHDDWAENJQAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 25452-22-6
• MDL Number: MFCD07407494

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.1754215
• LogD (pH = 7.4): 0.4710978
• Log P: 1.6813463
• Molar Refractivity: 54.8717 cm^3
• Polarizability: 21.32915 Å^3
• Polar Surface Area: 32.26 Å^2