[(3-fluorophenyl)methyl](1-methoxypropan-2-yl)amine

• ChemBase ID: 311090
• Molecular Formular: C11H16FNO
• Molecular Mass: 197.2492432
• Monoisotopic Mass: 197.12159236
• SMILES: N(Cc1cc(F)ccc1)C(COC)C
• Canonical SMILES: COCC(NCc1cccc(c1)F)C
• InChI: InChI=1S/C11H16FNO/c1-9(8-14-2)13-7-10-4-3-5-11(12)6-10/h3-6,9,13H,7-8H2,1-2H3
• InChIKey: PYDWTJOFYWYNMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-fluorophenyl)methyl](1-methoxypropan-2-yl)amine
• IUPAC Traditional name: [(3-fluorophenyl)methyl](1-methoxypropan-2-yl)amine
• Synonyms: (3-fluorobenzyl)(2-methoxy-1-methylethyl)amine

Database IDs

• CAS Number: 355816-49-8
• MDL Number: MFCD01454945

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9764327
• LogD (pH = 7.4): 0.5209545
• Log P: 2.0438962
• Molar Refractivity: 54.9847 cm^3
• Polarizability: 21.401114 Å^3
• Polar Surface Area: 21.26 Å^2