[4-(2-methylphenoxy)phenyl]methanamine

• ChemBase ID: 17021
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: c1(Oc2ccc(cc2)CN)c(cccc1)C
• Canonical SMILES: NCc1ccc(cc1)Oc1ccccc1C
• InChI: InChI=1S/C14H15NO/c1-11-4-2-3-5-14(11)16-13-8-6-12(10-15)7-9-13/h2-9H,10,15H2,1H3
• InChIKey: VWZASXKWMZFTRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(2-methylphenoxy)phenyl]methanamine
• IUPAC Traditional name: [4-(2-methylphenoxy)phenyl]methanamine
• Synonyms: 4-o-Tolyloxy-benzylamine

Database IDs

• MDL Number: MFCD06589814
• PubChem SID: 160980328
• PubChem CID: 1094842

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.12694132
• LogD (pH = 7.4): 1.0826864
• Log P: 3.1127229
• Molar Refractivity: 65.8134 cm^3
• Polarizability: 25.83483 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false