[(5-bromofuran-2-yl)methyl](methyl)amine

• ChemBase ID: 257159
• Molecular Formular: C6H8BrNO
• Molecular Mass: 190.03782
• Monoisotopic Mass: 188.97892588
• SMILES: c1(oc(cc1)CNC)Br
• Canonical SMILES: CNCc1ccc(o1)Br
• InChI: InChI=1S/C6H8BrNO/c1-8-4-5-2-3-6(7)9-5/h2-3,8H,4H2,1H3
• InChIKey: NANYLEFIVQMQHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-bromofuran-2-yl)methyl](methyl)amine
• IUPAC Traditional name: [(5-bromofuran-2-yl)methyl](methyl)amine
• Synonyms: N-[(5-bromo-2-furyl)methyl]-N-methylamine

Database IDs

• MDL Number: MFCD08436410
• PubChem SID: 164313069
• PubChem CID: 16787243

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5675647
• LogD (pH = 7.4): 0.15647537
• Log P: 1.0609494
• Molar Refractivity: 39.1017 cm^3
• Polarizability: 15.35447 Å^3
• Polar Surface Area: 25.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.549

Product Information

• Purity: 95%