[(5-bromo-2-methoxyphenyl)methyl](ethyl)amine

• ChemBase ID: 310987
• Molecular Formular: C10H14BrNO
• Molecular Mass: 244.12826
• Monoisotopic Mass: 243.02587607
• SMILES: c1(c(ccc(c1)Br)OC)CNCC
• Canonical SMILES: CCNCc1cc(Br)ccc1OC
• InChI: InChI=1S/C10H14BrNO/c1-3-12-7-8-6-9(11)4-5-10(8)13-2/h4-6,12H,3,7H2,1-2H3
• InChIKey: IKSYUECZSGSKMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-bromo-2-methoxyphenyl)methyl](ethyl)amine
• IUPAC Traditional name: [(5-bromo-2-methoxyphenyl)methyl](ethyl)amine
• Synonyms: N-(5-bromo-2-methoxybenzyl)ethanamine hydrochloride

Database IDs

• CAS Number: 869949-75-7
• MDL Number: MFCD06620095

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5505856
• LogD (pH = 7.4): 0.90162694
• Log P: 2.499484
• Molar Refractivity: 58.1406 cm^3
• Polarizability: 22.628988 Å^3
• Polar Surface Area: 21.26 Å^2