[1-(2-fluorophenyl)propyl](methyl)amine

• ChemBase ID: 98907
• Molecular Formular: C10H14FN
• Molecular Mass: 167.2232632
• Monoisotopic Mass: 167.11102767
• SMILES: N(C)C(c1ccccc1F)CC
• Canonical SMILES: CCC(c1ccccc1F)NC
• InChI: InChI=1S/C10H14FN/c1-3-10(12-2)8-6-4-5-7-9(8)11/h4-7,10,12H,3H2,1-2H3
• InChIKey: NGXDFLHOSGQZQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-fluorophenyl)propyl](methyl)amine
• IUPAC Traditional name: [1-(2-fluorophenyl)propyl](methyl)amine
• Synonyms: 1-(2-Fluorophenyl)-N-methylpropan-1-amine; N-[1-(2-Fluorophenyl)propyl]methylamine; (+/-)-alpha-Ethyl-2-fluoro-N-methylbenzylamine 98%

Database IDs

• CAS Number: 574731-04-7
• PubChem SID: 162085240
• PubChem CID: 45075720

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.480659
• LogD (pH = 7.4): 0.88548917
• Log P: 2.613394
• Molar Refractivity: 48.4652 cm^3
• Polarizability: 18.864363 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant