[2-(phenoxymethyl)phenyl]methanamine

• ChemBase ID: 92215
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: O(c1ccccc1)Cc1c(cccc1)CN
• Canonical SMILES: NCc1ccccc1COc1ccccc1
• InChI: InChI=1S/C14H15NO/c15-10-12-6-4-5-7-13(12)11-16-14-8-2-1-3-9-14/h1-9H,10-11,15H2
• InChIKey: KBMVPPBKGKRHKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(phenoxymethyl)phenyl]methanamine
• IUPAC Traditional name: [2-(phenoxymethyl)phenyl]methanamine
• Synonyms: 2-(phenoxymethyl)benzylamine; 1-[2-(phenoxymethyl)phenyl]methanamine; 2-(Phenoxymethyl)benzylamine 97%

Database IDs

• CAS Number: 168971-56-0
• MDL Number: MFCD04108110
• PubChem SID: 162078913
• PubChem CID: 826707

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.31215793
• LogD (pH = 7.4): 0.6989928
• Log P: 2.665816
• Molar Refractivity: 65.6072 cm^3
• Polarizability: 25.850607 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 26-27°C
• Boiling Point: 195-200°C/12mm
• Hydrophobicity(logP): 2.731

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 95%; 97%