2-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethan-1-ol

• ChemBase ID: 311389
• Molecular Formular: C14H17BrN2O
• Molecular Mass: 309.20158
• Monoisotopic Mass: 308.05242517
• SMILES: c12[nH]c3c(c1CCCC2NCCO)cc(cc3)Br
• Canonical SMILES: OCCNC1CCCc2c1[nH]c1c2cc(cc1)Br
• InChI: InChI=1S/C14H17BrN2O/c15-9-4-5-12-11(8-9)10-2-1-3-13(14(10)17-12)16-6-7-18/h4-5,8,13,16-18H,1-3,6-7H2
• InChIKey: KMLNANRKCDKNGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethan-1-ol
• IUPAC Traditional name: 2-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol
• Synonyms: 2-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol

Database IDs

• CAS Number: 221028-13-3
• MDL Number: MFCD00584022

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): -0.4492355
• LogD (pH = 7.4): 0.97296304
• Log P: 2.6178012
• Molar Refractivity: 76.3669 cm^3
• Polarizability: 30.591137 Å^3
• Polar Surface Area: 48.05 Å^2