[(4-fluorophenyl)methyl](3-methoxypropyl)amine

• ChemBase ID: 306817
• Molecular Formular: C11H16FNO
• Molecular Mass: 197.2492432
• Monoisotopic Mass: 197.12159236
• SMILES: c1(F)ccc(cc1)CNCCCOC
• Canonical SMILES: COCCCNCc1ccc(cc1)F
• InChI: InChI=1S/C11H16FNO/c1-14-8-2-7-13-9-10-3-5-11(12)6-4-10/h3-6,13H,2,7-9H2,1H3
• InChIKey: STRYNRNYZSHRED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-fluorophenyl)methyl](3-methoxypropyl)amine
• IUPAC Traditional name: [(4-fluorophenyl)methyl](3-methoxypropyl)amine
• Synonyms: (4-fluorobenzyl)(3-methoxypropyl)amine

Database IDs

• CAS Number: 884497-45-4
• MDL Number: MFCD05863677

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4887977
• LogD (pH = 7.4): -0.41080278
• Log P: 1.6872808
• Molar Refractivity: 55.4313 cm^3
• Polarizability: 21.40113 Å^3
• Polar Surface Area: 21.26 Å^2