2-[(2-phenylethyl)amino]ethan-1-ol

• ChemBase ID: 273973
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: N(CCO)CCc1ccccc1
• Canonical SMILES: OCCNCCc1ccccc1
• InChI: InChI=1S/C10H15NO/c12-9-8-11-7-6-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
• InChIKey: WPOHVHKEDGUEPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-phenylethyl)amino]ethan-1-ol
• IUPAC Traditional name: ethanol, 2-(phenethylamino)-
• Synonyms: 2-[(2-phenylethyl)amino]ethan-1-ol

Database IDs

• MDL Number: MFCD01727743
• PubChem SID: 164329883
• PubChem CID: 17826

CALCULATED PROPERTIES

• Acid pKa: 15.6022
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.055149
• LogD (pH = 7.4): -1.0322267
• Log P: 1.1301539
• Molar Refractivity: 50.3533 cm^3
• Polarizability: 19.778496 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.106

Product Information

• Purity: 95%