[1-(4-fluorophenyl)propyl](methyl)amine

• ChemBase ID: 31758
• Molecular Formular: C10H14FN
• Molecular Mass: 167.2232632
• Monoisotopic Mass: 167.11102767
• SMILES: c1(ccc(cc1)F)C(NC)CC
• Canonical SMILES: CCC(c1ccc(cc1)F)NC
• InChI: InChI=1S/C10H14FN/c1-3-10(12-2)8-4-6-9(11)7-5-8/h4-7,10,12H,3H2,1-2H3
• InChIKey: SORDPUKBFPOPMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-fluorophenyl)propyl](methyl)amine
• IUPAC Traditional name: [1-(4-fluorophenyl)propyl](methyl)amine
• Synonyms: [1-(4-Fluoro-phenyl)-propyl]-methyl-amine

Database IDs

• MDL Number: MFCD09043960
• PubChem SID: 160995065
• PubChem CID: 16644601

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5846279
• LogD (pH = 7.4): 0.34583563
• Log P: 2.613394
• Molar Refractivity: 48.4652 cm^3
• Polarizability: 18.864523 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false