dibenzyl(ethyl)amine

• ChemBase ID: 111712
• Molecular Formular: C16H19N
• Molecular Mass: 225.32876
• Monoisotopic Mass: 225.15174961
• SMILES: CCN(Cc1ccccc1)Cc1ccccc1
• Canonical SMILES: CCN(Cc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C16H19N/c1-2-17(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
• InChIKey: WBGPDYJIPNTOIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dibenzyl(ethyl)amine
• IUPAC Traditional name: dibenzyl(ethyl)amine
• Synonyms: N,N-DIBENZYL ETHYL AMINE

Database IDs

• CAS Number: 10479-25-1
• PubChem SID: 162096886
• PubChem CID: 82656

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.7666377
• LogD (pH = 7.4): 2.331728
• Log P: 3.9959238
• Molar Refractivity: 73.9619 cm^3
• Polarizability: 28.935741 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05220509

MP Biomedicals Rare Chemical collection