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

• ChemBase ID: 808752
• Molecular Formular: C10H14FN
• Molecular Mass: 167.2232632
• Monoisotopic Mass: 167.11102767
• SMILES: N(C)CCCc1ccc(cc1)F
• Canonical SMILES: CNCCCc1ccc(cc1)F
• InChI: InChI=1S/C10H14FN/c1-12-8-2-3-9-4-6-10(11)7-5-9/h4-7,12H,2-3,8H2,1H3
• InChIKey: RXJCNSDBCKPXLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(4-fluorophenyl)propyl](methyl)amine
• IUPAC Traditional name: [3-(4-fluorophenyl)propyl](methyl)amine
• Synonyms: [3-(4-FLUORO-PHENYL)-PROPYL]-METHYL-AMINE

Database IDs

• CAS Number: 459872-39-0

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8220326
• LogD (pH = 7.4): -0.31474572
• Log P: 2.4075265
• Molar Refractivity: 48.8784 cm^3
• Polarizability: 18.790869 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%