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

• ChemBase ID: 307823
• Molecular Formular: C10H14BrN
• Molecular Mass: 228.12886
• Monoisotopic Mass: 227.03096145
• SMILES: c1(ccc(cc1)Br)C(NC)CC
• Canonical SMILES: CCC(c1ccc(cc1)Br)NC
• InChI: InChI=1S/C10H14BrN/c1-3-10(12-2)8-4-6-9(11)7-5-8/h4-7,10,12H,3H2,1-2H3
• InChIKey: WGEDWIJMOODFIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-bromophenyl)propyl](methyl)amine
• IUPAC Traditional name: [1-(4-bromophenyl)propyl](methyl)amine
• Synonyms: 1-(4-bromophenyl)-N-methylpropan-1-amine

Database IDs

• CAS Number: 912906-92-4
• MDL Number: MFCD08548452

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.033204596
• LogD (pH = 7.4): 0.88926023
• Log P: 3.2394447
• Molar Refractivity: 55.8716 cm^3
• Polarizability: 21.906202 Å^3
• Polar Surface Area: 12.03 Å^2