[(3-bromophenyl)methyl](1-methoxypropan-2-yl)amine

• ChemBase ID: 310865
• Molecular Formular: C11H16BrNO
• Molecular Mass: 258.15484
• Monoisotopic Mass: 257.04152614
• SMILES: N(Cc1cc(Br)ccc1)C(COC)C
• Canonical SMILES: COCC(NCc1cccc(c1)Br)C
• InChI: InChI=1S/C11H16BrNO/c1-9(8-14-2)13-7-10-4-3-5-11(12)6-10/h3-6,9,13H,7-8H2,1-2H3
• InChIKey: LOIYEWCWRYTAQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-bromophenyl)methyl](1-methoxypropan-2-yl)amine
• IUPAC Traditional name: [(3-bromophenyl)methyl](1-methoxypropan-2-yl)amine
• Synonyms: (3-bromobenzyl)(2-methoxy-1-methylethyl)amine

Database IDs

• CAS Number: 355815-55-3
• MDL Number: MFCD01454507

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.39895836
• LogD (pH = 7.4): 1.0197136
• Log P: 2.6699467
• Molar Refractivity: 62.3911 cm^3
• Polarizability: 24.470543 Å^3
• Polar Surface Area: 21.26 Å^2