3-[(2,5-dimethylphenyl)methoxy]-6-methylpyridin-2-amine

• ChemBase ID: 73478
• Molecular Formular: C15H18N2O
• Molecular Mass: 242.31622
• Monoisotopic Mass: 242.14191321
• SMILES: n1c(c(ccc1C)OCc1cc(ccc1C)C)N
• Canonical SMILES: Cc1ccc(c(c1)COc1ccc(nc1N)C)C
• InChI: InChI=1S/C15H18N2O/c1-10-4-5-11(2)13(8-10)9-18-14-7-6-12(3)17-15(14)16/h4-8H,9H2,1-3H3,(H2,16,17)
• InChIKey: IYLWJTCYIKKOBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2,5-dimethylphenyl)methoxy]-6-methylpyridin-2-amine
• IUPAC Traditional name: 3-[(2,5-dimethylphenyl)methoxy]-6-methylpyridin-2-amine
• Synonyms: 2-Amino-3-(2,5-dimethylbenzyloxy)-6-methylpyridine 95+%

Database IDs

• MDL Number: MFCD01313008
• PubChem SID: 162038397
• PubChem CID: 2735321

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7898644
• LogD (pH = 7.4): 3.070155
• Log P: 3.2461197
• Molar Refractivity: 74.6647 cm^3
• Polarizability: 27.982128 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119-121°C

Safety Information

• Storage Warning: Irritant