[2-(4-bromo-2-methylphenoxy)ethyl](methyl)amine

• ChemBase ID: 312017
• Molecular Formular: C10H14BrNO
• Molecular Mass: 244.12826
• Monoisotopic Mass: 243.02587607
• SMILES: c1(c(ccc(c1)Br)OCCNC)C
• Canonical SMILES: CNCCOc1ccc(cc1C)Br
• InChI: InChI=1S/C10H14BrNO/c1-8-7-9(11)3-4-10(8)13-6-5-12-2/h3-4,7,12H,5-6H2,1-2H3
• InChIKey: HUUMBQFGQWPTQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-bromo-2-methylphenoxy)ethyl](methyl)amine
• IUPAC Traditional name: [2-(4-bromo-2-methylphenoxy)ethyl](methyl)amine
• Synonyms: 2-(4-bromo-2-methylphenoxy)-N-methylethanamine

Database IDs

• CAS Number: 915920-76-2
• MDL Number: MFCD08691783

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.44236413
• LogD (pH = 7.4): 0.6376703
• Log P: 2.733345
• Molar Refractivity: 57.9096 cm^3
• Polarizability: 22.561583 Å^3
• Polar Surface Area: 21.26 Å^2