(2-phenoxyphenyl)methanamine

• ChemBase ID: 265367
• Molecular Formular: C13H13NO
• Molecular Mass: 199.24842
• Monoisotopic Mass: 199.09971404
• SMILES: c1(Oc2ccccc2)c(CN)cccc1
• Canonical SMILES: NCc1ccccc1Oc1ccccc1
• InChI: InChI=1S/C13H13NO/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9H,10,14H2
• InChIKey: WXCFCNCGPYJALB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenoxyphenyl)methanamine
• IUPAC Traditional name: (2-phenoxyphenyl)methanamine
• Synonyms: (2-phenoxyphenyl)methanamine

Database IDs

• MDL Number: MFCD07365247
• PubChem SID: 164321277
• PubChem CID: 17749841

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.3349101
• LogD (pH = 7.4): 0.8872534
• Log P: 2.5993013
• Molar Refractivity: 60.7722 cm^3
• Polarizability: 24.068033 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.192

Product Information

• Purity: 95%