7-bromo-3-ethylquinolin-2-amine

• ChemBase ID: 816081
• Molecular Formular: C11H11BrN2
• Molecular Mass: 251.12244
• Monoisotopic Mass: 250.01056036
• SMILES: c1(cc2c(cc1)cc(c(n2)N)CC)Br
• Canonical SMILES: CCc1cc2ccc(cc2nc1N)Br
• InChI: InChI=1S/C11H11BrN2/c1-2-7-5-8-3-4-9(12)6-10(8)14-11(7)13/h3-6H,2H2,1H3,(H2,13,14)
• InChIKey: SUJIVBIWHXXREB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromo-3-ethylquinolin-2-amine
• IUPAC Traditional name: 7-bromo-3-ethylquinolin-2-amine
• Synonyms: 2-AMINO-7-BROMO-3-ETHYLQUINOLINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2153022
• LogD (pH = 7.4): 3.61455
• Log P: 3.6231747
• Molar Refractivity: 62.2582 cm^3
• Polarizability: 24.350534 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%