diethyl[2-(phenylamino)ethyl]amine

• ChemBase ID: 81946
• Molecular Formular: C12H20N2
• Molecular Mass: 192.3006
• Monoisotopic Mass: 192.16264865
• SMILES: N(c1ccccc1)CCN(CC)CC
• Canonical SMILES: CCN(CCNc1ccccc1)CC
• InChI: InChI=1S/C12H20N2/c1-3-14(4-2)11-10-13-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
• InChIKey: QUMIGAREEPSVLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl[2-(phenylamino)ethyl]amine
• IUPAC Traditional name: diethyl[2-(phenylamino)ethyl]amine
• Synonyms: N1,N1-diethyl-N2-phenylethane-1,2-diamine

Database IDs

• MDL Number: MFCD00026736
• PubChem SID: 162069065
• PubChem CID: 74271

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2000852
• LogD (pH = 7.4): 0.105577655
• Log P: 2.1782844
• Molar Refractivity: 63.7681 cm^3
• Polarizability: 24.094984 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true