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

• ChemBase ID: 245143
• Molecular Formular: C16H19NO
• Molecular Mass: 241.32816
• Monoisotopic Mass: 241.14666423
• SMILES: O(c1ccc(cc1)CNCC)Cc1ccccc1
• Canonical SMILES: CCNCc1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C16H19NO/c1-2-17-12-14-8-10-16(11-9-14)18-13-15-6-4-3-5-7-15/h3-11,17H,2,12-13H2,1H3
• InChIKey: KMTWOQMCJLOVSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[4-(benzyloxy)phenyl]methyl}(ethyl)amine
• IUPAC Traditional name: {[4-(benzyloxy)phenyl]methyl}(ethyl)amine
• Synonyms: N-[4-(benzyloxy)benzyl]-N-ethylamine

Database IDs

• MDL Number: MFCD04496993
• PubChem SID: 164301053
• PubChem CID: 2496637

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.2612315
• LogD (pH = 7.4): 1.2236564
• Log P: 3.4552045
• Molar Refractivity: 75.1304 cm^3
• Polarizability: 29.544405 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.726

Product Information

• Purity: 95%