2-(2-aminoethoxy)phenol

• ChemBase ID: 171100
• Molecular Formular: C8H11NO2
• Molecular Mass: 153.17844
• Monoisotopic Mass: 153.0789786
• SMILES: c1ccc(c(c1)OCCN)O
• Canonical SMILES: NCCOc1ccccc1O
• InChI: InChI=1S/C8H11NO2/c9-5-6-11-8-4-2-1-3-7(8)10/h1-4,10H,5-6,9H2
• InChIKey: XLHORNMWQFLFAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethoxy)phenol
• IUPAC Traditional name: 2-(2-aminoethoxy)phenol
• Synonyms: 2-(2-Aminoethoxy)phenol; o-Hydroxyphenoxyethylamine; 2-(2-Hydroxyphenoxy)ethylamine

Database IDs

• CAS Number: 40340-32-7
• PubChem SID: 164227010
• PubChem CID: 21248430

CALCULATED PROPERTIES

• Acid pKa: 10.040929
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.244908
• LogD (pH = 7.4): -1.1319027
• Log P: 0.33090237
• Molar Refractivity: 42.4519 cm^3
• Polarizability: 16.817461 Å^3
• Polar Surface Area: 55.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: Off-White Solid
• Melting Point: 126-129°C

Safety Information

• Storage Warning: Light Sensitive, Temperature Sensitive Storage: -15°C

DETAILS

Toronto Research Chemicals - H950813

2-(2-Hydroxyphenoxy)ethylamine is a sympatholytic compound.