2-(4-methoxyphenoxy)pyridin-3-amine

• ChemBase ID: 257080
• Molecular Formular: C12H12N2O2
• Molecular Mass: 216.23588
• Monoisotopic Mass: 216.08987763
• SMILES: c1(Oc2ccc(cc2)OC)ncccc1N
• Canonical SMILES: COc1ccc(cc1)Oc1ncccc1N
• InChI: InChI=1S/C12H12N2O2/c1-15-9-4-6-10(7-5-9)16-12-11(13)3-2-8-14-12/h2-8H,13H2,1H3
• InChIKey: YCHHURQEIGRWHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenoxy)pyridin-3-amine
• IUPAC Traditional name: 2-(4-methoxyphenoxy)pyridin-3-amine
• Synonyms: 2-(4-methoxyphenoxy)pyridin-3-amine

Database IDs

• MDL Number: MFCD01570916
• PubChem SID: 164312990
• PubChem CID: 2728288

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.863423
• LogD (pH = 7.4): 1.8637171
• Log P: 1.8637209
• Molar Refractivity: 61.619 cm^3
• Polarizability: 23.416777 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 2.515

Product Information

• Purity: 95%