{2-[4-(benzyloxy)phenoxy]ethyl}(methyl)amine

• ChemBase ID: 274813
• Molecular Formular: C16H19NO2
• Molecular Mass: 257.32756
• Monoisotopic Mass: 257.14157885
• SMILES: O(c1ccc(cc1)OCCNC)Cc1ccccc1
• Canonical SMILES: CNCCOc1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C16H19NO2/c1-17-11-12-18-15-7-9-16(10-8-15)19-13-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3
• InChIKey: NTSIFAPFMHLCRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[4-(benzyloxy)phenoxy]ethyl}(methyl)amine
• IUPAC Traditional name: {2-[4-(benzyloxy)phenoxy]ethyl}(methyl)amine
• Synonyms: {2-[4-(benzyloxy)phenoxy]ethyl}(methyl)amine

Database IDs

• MDL Number: MFCD12463546
• PubChem SID: 164330723
• PubChem CID: 2949037

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.1588833
• LogD (pH = 7.4): 0.9147757
• Log P: 3.017973
• Molar Refractivity: 76.3214 cm^3
• Polarizability: 30.183952 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 44 - 46°C
• Hydrophobicity(logP): 3.424

Product Information

• Purity: 95%