2-bromo-6-[(methylamino)methyl]phenol

• ChemBase ID: 235989
• Molecular Formular: C8H10BrNO
• Molecular Mass: 216.0751
• Monoisotopic Mass: 214.99457595
• SMILES: c1(c(CNC)cccc1Br)O
• Canonical SMILES: CNCc1cccc(c1O)Br
• InChI: InChI=1S/C8H10BrNO/c1-10-5-6-3-2-4-7(9)8(6)11/h2-4,10-11H,5H2,1H3
• InChIKey: MMNVLVQNACCDJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-[(methylamino)methyl]phenol
• IUPAC Traditional name: 2-bromo-6-[(methylamino)methyl]phenol
• Synonyms: 2-bromo-6-[(methylamino)methyl]phenol

Database IDs

• MDL Number: MFCD14656483
• PubChem SID: 164291899
• PubChem CID: 61389652

CALCULATED PROPERTIES

• Acid pKa: 6.7126756
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.28953317
• LogD (pH = 7.4): 0.82039607
• Log P: 0.8887712
• Molar Refractivity: 48.9097 cm^3
• Polarizability: 18.928133 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.673

Product Information

• Purity: 95%