2-{[(2-methoxyphenyl)amino]methyl}phenol

• ChemBase ID: 57692
• Molecular Formular: C14H15NO2
• Molecular Mass: 229.2744
• Monoisotopic Mass: 229.11027873
• SMILES: N(Cc1c(O)cccc1)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1NCc1ccccc1O
• InChI: InChI=1S/C14H15NO2/c1-17-14-9-5-3-7-12(14)15-10-11-6-2-4-8-13(11)16/h2-9,15-16H,10H2,1H3
• InChIKey: HRWOADPHRVVBEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(2-methoxyphenyl)amino]methyl}phenol
• IUPAC Traditional name: 2-{[(2-methoxyphenyl)amino]methyl}phenol
• Synonyms: 2-{[(2-Methoxyphenyl)amino]methyl}phenol; 2-[(2-Methoxy-phenylamino)-methyl]-phenol

Database IDs

• CAS Number: 388110-66-5
• MDL Number: MFCD04621504
• PubChem SID: 162062455
• PubChem CID: 2393561

CALCULATED PROPERTIES

• Acid pKa: 9.230765
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.6890614
• LogD (pH = 7.4): 2.702672
• Log P: 2.7092605
• Molar Refractivity: 69.3085 cm^3
• Polarizability: 26.028463 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.475

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%