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

• ChemBase ID: 258258
• Molecular Formular: C12H20N2
• Molecular Mass: 192.3006
• Monoisotopic Mass: 192.16264865
• SMILES: N(CCNCCc1ccccc1)(C)C
• Canonical SMILES: CN(CCNCCc1ccccc1)C
• InChI: InChI=1S/C12H20N2/c1-14(2)11-10-13-9-8-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
• InChIKey: WEJBWYZFAIDFQM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(dimethylamino)ethyl](2-phenylethyl)amine
• IUPAC Traditional name: [2-(dimethylamino)ethyl](2-phenylethyl)amine
• Synonyms: N,N-dimethyl-N'-(2-phenylethyl)ethane-1,2-diamine

Database IDs

• MDL Number: MFCD08757012
• PubChem SID: 164314168
• PubChem CID: 10607792

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4726915
• LogD (pH = 7.4): -0.5684059
• Log P: 1.8389003
• Molar Refractivity: 62.0801 cm^3
• Polarizability: 24.41934 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.078

Product Information

• Purity: 95%