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

• ChemBase ID: 261618
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(CN(C)C)cc(CO)ccc1
• Canonical SMILES: OCc1cccc(c1)CN(C)C
• InChI: InChI=1S/C10H15NO/c1-11(2)7-9-4-3-5-10(6-9)8-12/h3-6,12H,7-8H2,1-2H3
• InChIKey: VUUSSTMNTMTMID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[(dimethylamino)methyl]phenyl}methanol
• IUPAC Traditional name: {3-[(dimethylamino)methyl]phenyl}methanol
• Synonyms: {3-[(dimethylamino)methyl]phenyl}methanol

Database IDs

• MDL Number: MFCD09693970
• PubChem SID: 164317528
• PubChem CID: 12952018

CALCULATED PROPERTIES

• Acid pKa: 14.98878
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9879842
• LogD (pH = 7.4): -0.3421629
• 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%