1-(6-bromo-2,3-dihydro-1H-indol-1-yl)propan-2-amine

• ChemBase ID: 130133
• Molecular Formular: C11H15BrN2
• Molecular Mass: 255.1542
• Monoisotopic Mass: 254.04186049
• SMILES: CC(N)CN1CCc2c1cc(cc2)Br
• Canonical SMILES: CC(CN1CCc2c1cc(Br)cc2)N
• InChI: InChI=1S/C11H15BrN2/c1-8(13)7-14-5-4-9-2-3-10(12)6-11(9)14/h2-3,6,8H,4-5,7,13H2,1H3
• InChIKey: QGRQJMXAQYGAKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-bromo-2,3-dihydro-1H-indol-1-yl)propan-2-amine
• IUPAC Traditional name: 1-(6-bromo-2,3-dihydroindol-1-yl)propan-2-amine
• Synonyms: VER-3323

Database IDs

• PubChem SID: 162224417
• PubChem CID: 6604042; 18735337
• Wikipedia Title: VER-3323

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.50266117
• LogD (pH = 7.4): 0.16737315
• Log P: 2.509522
• Molar Refractivity: 63.7876 cm^3
• Polarizability: 24.112398 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true