(2-phenoxypyridin-4-yl)methanamine

• ChemBase ID: 257037
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: c1(nccc(c1)CN)Oc1ccccc1
• Canonical SMILES: NCc1ccnc(c1)Oc1ccccc1
• InChI: InChI=1S/C12H12N2O/c13-9-10-6-7-14-12(8-10)15-11-4-2-1-3-5-11/h1-8H,9,13H2
• InChIKey: PJFOUMAUWJEBRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenoxypyridin-4-yl)methanamine
• IUPAC Traditional name: (2-phenoxypyridin-4-yl)methanamine
• Synonyms: (2-phenoxypyridin-4-yl)methylamine

Database IDs

• MDL Number: MFCD09732369
• PubChem SID: 164312947
• PubChem CID: 16785630

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.96674687
• LogD (pH = 7.4): 0.2229014
• Log P: 1.9760865
• Molar Refractivity: 58.9288 cm^3
• Polarizability: 23.138763 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.695

Product Information

• Purity: 95%