6-bromo-N-methyl-2,3-dihydro-1H-inden-1-amine

• ChemBase ID: 815646
• Molecular Formular: C10H12BrN
• Molecular Mass: 226.11298
• Monoisotopic Mass: 225.01531139
• SMILES: C1C(c2cc(ccc2C1)Br)NC
• Canonical SMILES: CNC1CCc2c1cc(Br)cc2
• InChI: InChI=1S/C10H12BrN/c1-12-10-5-3-7-2-4-8(11)6-9(7)10/h2,4,6,10,12H,3,5H2,1H3
• InChIKey: VMOGBOBURVTQOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-N-methyl-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: 6-bromo-N-methyl-2,3-dihydro-1H-inden-1-amine
• Synonyms: 6-bromo-N-methyl-2,3-dihydro-1H-inden-1-amine

Database IDs

• CAS Number: 371251-07-9

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.3494025
• LogD (pH = 7.4): 0.61301434
• Log P: 2.8445716
• Molar Refractivity: 54.5096 cm^3
• Polarizability: 21.119457 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%