benzyl[2-(diethylamino)ethyl]amine

• ChemBase ID: 264617
• Molecular Formular: C13H22N2
• Molecular Mass: 206.32718
• Monoisotopic Mass: 206.17829871
• SMILES: N(CCNCc1ccccc1)(CC)CC
• Canonical SMILES: CCN(CCNCc1ccccc1)CC
• InChI: InChI=1S/C13H22N2/c1-3-15(4-2)11-10-14-12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3
• InChIKey: VFXMWBGLBNFTSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[2-(diethylamino)ethyl]amine
• IUPAC Traditional name: benzyl[2-(diethylamino)ethyl]amine
• Synonyms: benzyl[2-(diethylamino)ethyl]amine

Database IDs

• MDL Number: MFCD00085772
• PubChem SID: 164320527
• PubChem CID: 296044

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2730508
• LogD (pH = 7.4): 0.10037686
• Log P: 2.263855
• Molar Refractivity: 66.8223 cm^3
• Polarizability: 26.344969 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.948

Product Information

• Purity: 95%