4-methyl-3-[(4-methylpyridin-2-yl)oxy]aniline

• ChemBase ID: 283144
• Molecular Formular: C13H14N2O
• Molecular Mass: 214.26306
• Monoisotopic Mass: 214.11061308
• SMILES: c1(Oc2nccc(c2)C)cc(N)ccc1C
• Canonical SMILES: Cc1ccnc(c1)Oc1cc(N)ccc1C
• InChI: InChI=1S/C13H14N2O/c1-9-5-6-15-13(7-9)16-12-8-11(14)4-3-10(12)2/h3-8H,14H2,1-2H3
• InChIKey: JNXXARDREVQYJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-3-[(4-methylpyridin-2-yl)oxy]aniline
• IUPAC Traditional name: 4-methyl-3-[(4-methylpyridin-2-yl)oxy]aniline
• Synonyms: 4-methyl-3-[(4-methylpyridin-2-yl)oxy]aniline

Database IDs

• MDL Number: MFCD16083621
• PubChem SID: 180668675
• PubChem CID: 54595635

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0315456
• LogD (pH = 7.4): 3.0480208
• Log P: 3.048235
• Molar Refractivity: 65.2382 cm^3
• Polarizability: 24.434774 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76 - 78°C
• Hydrophobicity(logP): 2.514

Product Information

• Purity: 95%