[2-(diethylamino)ethyl](2-phenylethyl)amine

• ChemBase ID: 28809
• Molecular Formular: C14H24N2
• Molecular Mass: 220.35376
• Monoisotopic Mass: 220.19394878
• SMILES: N(CCNCCc1ccccc1)(CC)CC
• Canonical SMILES: CCN(CCNCCc1ccccc1)CC
• InChI: InChI=1S/C14H24N2/c1-3-16(4-2)13-12-15-11-10-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3
• InChIKey: WUIFHYMUVDPLHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(diethylamino)ethyl](2-phenylethyl)amine
• IUPAC Traditional name: [2-(diethylamino)ethyl](2-phenylethyl)amine
• Synonyms: N1,N1-diethyl-N2-phenethyl-1,2-ethanediamine

Database IDs

• MDL Number: MFCD08756995
• PubChem SID: 160992116
• PubChem CID: 12882439

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2331595
• LogD (pH = 7.4): -0.012582666
• Log P: 2.5525162
• Molar Refractivity: 71.5773 cm^3
• Polarizability: 28.11342 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false