5-bromo-2,4-dimethoxyaniline

• ChemBase ID: 282352
• Molecular Formular: C8H10BrNO2
• Molecular Mass: 232.0745
• Monoisotopic Mass: 230.98949057
• SMILES: c1c(c(cc(c1Br)OC)OC)N
• Canonical SMILES: COc1cc(OC)c(cc1N)Br
• InChI: InChI=1S/C8H10BrNO2/c1-11-7-4-8(12-2)6(10)3-5(7)9/h3-4H,10H2,1-2H3
• InChIKey: MNCWCTCUSSOSKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2,4-dimethoxyaniline
• IUPAC Traditional name: 5-bromo-2,4-dimethoxyaniline
• Synonyms: 5-bromo-2,4-dimethoxyaniline

Database IDs

• MDL Number: MFCD14534267
• PubChem SID: 180667883
• PubChem CID: 20230023

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5711142
• LogD (pH = 7.4): 1.5973845
• Log P: 1.5977299
• Molar Refractivity: 51.3076 cm^3
• Polarizability: 19.397041 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.999

Product Information

• Purity: 95%