2-(2-aminophenoxy)ethan-1-ol

• ChemBase ID: 124491
• Molecular Formular: C8H11NO2
• Molecular Mass: 153.17844
• Monoisotopic Mass: 153.0789786
• SMILES: c1(c(OCCO)cccc1)N
• Canonical SMILES: OCCOc1ccccc1N
• InChI: InChI=1S/C8H11NO2/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4,10H,5-6,9H2
• InChIKey: UNJDMWQMPZNWOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminophenoxy)ethan-1-ol
• IUPAC Traditional name: 2-(2-aminophenoxy)ethanol
• Synonyms: 2-(2-aminophenoxy)ethanol

Database IDs

• PubChem SID: 162218844
• PubChem CID: 12538880

CALCULATED PROPERTIES

• Acid pKa: 15.102062
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.26770166
• LogD (pH = 7.4): 0.29617113
• Log P: 0.29654658
• Molar Refractivity: 43.5139 cm^3
• Polarizability: 16.449806 Å^3
• Polar Surface Area: 55.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true