{4-[(dimethylamino)methyl]phenyl}methanol

• ChemBase ID: 261508
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: N(Cc1ccc(cc1)CO)(C)C
• Canonical SMILES: OCc1ccc(cc1)CN(C)C
• InChI: InChI=1S/C10H15NO/c1-11(2)7-9-3-5-10(8-12)6-4-9/h3-6,12H,7-8H2,1-2H3
• InChIKey: FZEXGKWMKMGXBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[(dimethylamino)methyl]phenyl}methanol
• IUPAC Traditional name: {4-[(dimethylamino)methyl]phenyl}methanol
• Synonyms: {4-[(dimethylamino)methyl]phenyl}methanol

Database IDs

• MDL Number: MFCD09693967
• PubChem SID: 164317418
• PubChem CID: 16495025

CALCULATED PROPERTIES

• Acid pKa: 15.00494
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.001549
• LogD (pH = 7.4): -0.3652895
• Log P: 1.1472929
• Molar Refractivity: 51.4166 cm^3
• Polarizability: 19.848345 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.938

Product Information

• Purity: 95%