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

• ChemBase ID: 311848
• Molecular Formular: C12H18BrNO2
• Molecular Mass: 288.18082
• Monoisotopic Mass: 287.05209082
• SMILES: c1(c(ccc(c1)C)OCCNCCOC)Br
• Canonical SMILES: COCCNCCOc1ccc(cc1Br)C
• InChI: InChI=1S/C12H18BrNO2/c1-10-3-4-12(11(13)9-10)16-8-6-14-5-7-15-2/h3-4,9,14H,5-8H2,1-2H3
• InChIKey: WNKXJZTYQGZXLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 434303-01-2
• MDL Number: MFCD03708423

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.3240028
• LogD (pH = 7.4): 1.186743
• Log P: 2.6863697
• Molar Refractivity: 68.9531 cm^3
• Polarizability: 26.960512 Å^3
• Polar Surface Area: 30.49 Å^2