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

• ChemBase ID: 189209
• Molecular Formular: C14H18BrClN2O
• Molecular Mass: 345.66252
• Monoisotopic Mass: 344.02910289
• SMILES: c12[nH]c3c(c1CCCC2NCCO)cc(cc3)Br.Cl
• Canonical SMILES: OCCNC1CCCc2c1[nH]c1c2cc(cc1)Br.Cl
• InChI: InChI=1S/C14H17BrN2O.ClH/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;1H
• InChIKey: OQVDIPQSNDYPIM-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 hydrochloride
• IUPAC Traditional name: 2-[(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol hydrochloride

Database IDs

• PubChem SID: 164245119
• PubChem CID: 50985672

CALCULATED PROPERTIES

• Acid pKa: 15.543499
• 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
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Derivatives & analogs of Natural Compounds