[(5-bromo-2-ethoxyphenyl)methyl](methyl)amine

• ChemBase ID: 312107
• Molecular Formular: C10H14BrNO
• Molecular Mass: 244.12826
• Monoisotopic Mass: 243.02587607
• SMILES: c1(c(ccc(c1)Br)OCC)CNC
• Canonical SMILES: CNCc1cc(Br)ccc1OCC
• InChI: InChI=1S/C10H14BrNO/c1-3-13-10-5-4-9(11)6-8(10)7-12-2/h4-6,12H,3,7H2,1-2H3
• InChIKey: GVTXDYNJFLOQEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-bromo-2-ethoxyphenyl)methyl](methyl)amine
• IUPAC Traditional name: [(5-bromo-2-ethoxyphenyl)methyl](methyl)amine
• Synonyms: (5-bromo-2-ethoxybenzyl)methylamine

Database IDs

• CAS Number: 893581-54-9
• MDL Number: MFCD07405831

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.52050126
• LogD (pH = 7.4): 0.97736037
• Log P: 2.499484
• Molar Refractivity: 58.1406 cm^3
• Polarizability: 22.628838 Å^3
• Polar Surface Area: 21.26 Å^2