1-[2-(dimethylamino)phenyl]ethan-1-ol

• ChemBase ID: 246395
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(c(N(C)C)cccc1)C(O)C
• Canonical SMILES: CN(c1ccccc1C(O)C)C
• InChI: InChI=1S/C10H15NO/c1-8(12)9-6-4-5-7-10(9)11(2)3/h4-8,12H,1-3H3
• InChIKey: JXVZATODPMOZFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(dimethylamino)phenyl]ethan-1-ol
• IUPAC Traditional name: 1-[2-(dimethylamino)phenyl]ethanol
• Synonyms: 1-[2-(dimethylamino)phenyl]ethan-1-ol

Database IDs

• MDL Number: MFCD12187298
• PubChem SID: 164302305
• PubChem CID: 13925625

CALCULATED PROPERTIES

• Acid pKa: 14.765247
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7216434
• LogD (pH = 7.4): 1.7304021
• Log P: 1.7305149
• Molar Refractivity: 51.7213 cm^3
• Polarizability: 19.454523 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.578

Product Information

• Purity: 95%