{[2-(2-phenylethoxy)phenyl]methyl}(1-phenylethyl)amine

• ChemBase ID: 29015
• Molecular Formular: C23H25NO
• Molecular Mass: 331.4507
• Monoisotopic Mass: 331.19361443
• SMILES: N(Cc1c(OCCc2ccccc2)cccc1)C(c1ccccc1)C
• Canonical SMILES: CC(c1ccccc1)NCc1ccccc1OCCc1ccccc1
• InChI: InChI=1S/C23H25NO/c1-19(21-12-6-3-7-13-21)24-18-22-14-8-9-15-23(22)25-17-16-20-10-4-2-5-11-20/h2-15,19,24H,16-18H2,1H3
• InChIKey: CYISGRRQXNONOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(2-phenylethoxy)phenyl]methyl}(1-phenylethyl)amine
• IUPAC Traditional name: {[2-(2-phenylethoxy)phenyl]methyl}(1-phenylethyl)amine
• Synonyms: N-[2-(Phenethyloxy)benzyl]-1-phenyl-1-ethanamine

Database IDs

• MDL Number: MFCD10687666
• PubChem SID: 160992322
• PubChem CID: 46736198

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.659411
• LogD (pH = 7.4): 4.2987704
• Log P: 5.5281057
• Molar Refractivity: 104.1682 cm^3
• Polarizability: 40.953667 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false