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

• ChemBase ID: 235084
• Molecular Formular: C17H22N2
• Molecular Mass: 254.36998
• Monoisotopic Mass: 254.17829871
• SMILES: N(Cc1ccccc1)(CCNCc1ccccc1)C
• Canonical SMILES: CN(Cc1ccccc1)CCNCc1ccccc1
• InChI: InChI=1S/C17H22N2/c1-19(15-17-10-6-3-7-11-17)13-12-18-14-16-8-4-2-5-9-16/h2-11,18H,12-15H2,1H3
• InChIKey: RCBAMLARYBKJCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl({2-[benzyl(methyl)amino]ethyl})amine
• IUPAC Traditional name: benzyl({2-[benzyl(methyl)amino]ethyl})amine
• Synonyms: benzyl({2-[benzyl(methyl)amino]ethyl})amine

Database IDs

• MDL Number: MFCD17432317
• PubChem SID: 164290994
• PubChem CID: 18982043

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7522308
• LogD (pH = 7.4): 1.254764
• Log P: 3.2747123
• Molar Refractivity: 81.9377 cm^3
• Polarizability: 32.293644 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.746

Product Information

• Purity: 95%