(4-methyl-2-phenoxyphenyl)methanamine

• ChemBase ID: 236833
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: c1(c(ccc(c1)C)CN)Oc1ccccc1
• Canonical SMILES: NCc1ccc(cc1Oc1ccccc1)C
• InChI: InChI=1S/C14H15NO/c1-11-7-8-12(10-15)14(9-11)16-13-5-3-2-4-6-13/h2-9H,10,15H2,1H3
• InChIKey: PTSAHOPIFMDHIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methyl-2-phenoxyphenyl)methanamine
• IUPAC Traditional name: (4-methyl-2-phenoxyphenyl)methanamine
• Synonyms: (4-methyl-2-phenoxyphenyl)methanamine

Database IDs

• MDL Number: MFCD16731720
• PubChem SID: 164292743
• PubChem CID: 62306947

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.1708559
• LogD (pH = 7.4): 1.3643076
• Log P: 3.1127229
• Molar Refractivity: 65.8134 cm^3
• Polarizability: 25.834078 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.691

Product Information

• Purity: 95%