benzyl({2-[benzyl(methyl)amino]ethyl})methylamine

• ChemBase ID: 110605
• Molecular Formular: C18H24N2
• Molecular Mass: 268.39656
• Monoisotopic Mass: 268.19394878
• SMILES: CN(CCN(C)Cc1ccccc1)Cc1ccccc1
• Canonical SMILES: CN(Cc1ccccc1)CCN(Cc1ccccc1)C
• InChI: InChI=1S/C18H24N2/c1-19(15-17-9-5-3-6-10-17)13-14-20(2)16-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3
• InChIKey: VRPZLDIUBCEYBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl({2-[benzyl(methyl)amino]ethyl})methylamine
• IUPAC Traditional name: benzyl({2-[benzyl(methyl)amino]ethyl})methylamine
• Synonyms: N,N'-DIBENZYL-N,N'-DIMETHYLETHYLENEDIAMINE

Database IDs

• CAS Number: 102-18-1
• PubChem SID: 162095901
• PubChem CID: 66017

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.18446144
• LogD (pH = 7.4): 1.8469282
• Log P: 3.6577601
• Molar Refractivity: 87.2324 cm^3
• Polarizability: 34.140575 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05215686

MP Biomedicals Rare Chemical collection