1-(2-aminoethoxy)-4-bromobenzene

• ChemBase ID: 308487
• Molecular Formular: C8H10BrNO
• Molecular Mass: 216.0751
• Monoisotopic Mass: 214.99457595
• SMILES: c1(Br)ccc(cc1)OCCN
• Canonical SMILES: NCCOc1ccc(cc1)Br
• InChI: InChI=1S/C8H10BrNO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,5-6,10H2
• InChIKey: AIHSYDQJCKBJHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoethoxy)-4-bromobenzene
• IUPAC Traditional name: 1-(2-aminoethoxy)-4-bromobenzene
• Synonyms: 2-(4-bromophenoxy)ethanamine

Database IDs

• CAS Number: 26583-55-1
• MDL Number: MFCD09064752

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1742545
• LogD (pH = 7.4): -0.068616316
• Log P: 1.7873434
• Molar Refractivity: 48.0938 cm^3
• Polarizability: 18.991163 Å^3
• Polar Surface Area: 35.25 Å^2