2-[(2,3-dihydro-1H-inden-1-yl)amino]ethan-1-ol

• ChemBase ID: 274058
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: c12c(CCC1NCCO)cccc2
• Canonical SMILES: OCCNC1CCc2c1cccc2
• InChI: InChI=1S/C11H15NO/c13-8-7-12-11-6-5-9-3-1-2-4-10(9)11/h1-4,11-13H,5-8H2
• InChIKey: GGLQSNAHAAPZCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2,3-dihydro-1H-inden-1-yl)amino]ethan-1-ol
• IUPAC Traditional name: 2-(2,3-dihydro-1H-inden-1-ylamino)ethanol
• Synonyms: 2-(2,3-dihydro-1H-inden-1-ylamino)ethan-1-ol

Database IDs

• MDL Number: MFCD10690646
• PubChem SID: 164329968
• PubChem CID: 43151176

CALCULATED PROPERTIES

• Acid pKa: 15.601148
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.7536432
• LogD (pH = 7.4): -0.5152461
• Log P: 1.3857169
• Molar Refractivity: 53.1791 cm^3
• Polarizability: 20.882399 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.332

Product Information

• Purity: 95%