{2-[2-(dimethylamino)ethoxy]phenyl}methanol

• ChemBase ID: 101333
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: c1(c(OCCN(C)C)cccc1)CO
• Canonical SMILES: OCc1ccccc1OCCN(C)C
• InChI: InChI=1S/C11H17NO2/c1-12(2)7-8-14-11-6-4-3-5-10(11)9-13/h3-6,13H,7-9H2,1-2H3
• InChIKey: UNABPRGGCSJBPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[2-(dimethylamino)ethoxy]phenyl}methanol
• IUPAC Traditional name: {2-[2-(dimethylamino)ethoxy]phenyl}methanol
• Synonyms: {2-[2-(dimethylamino)ethoxy]phenyl}methanol

Database IDs

• CAS Number: 59115-26-3
• MDL Number: MFCD08690289
• PubChem SID: 162086752
• PubChem CID: 18525857

CALCULATED PROPERTIES

• Acid pKa: 14.705744
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.987212
• LogD (pH = 7.4): -0.2947777
• Log P: 1.0668693
• Molar Refractivity: 57.3562 cm^3
• Polarizability: 22.352406 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%