(2-{2-[2-(dimethylamino)ethoxy]phenyl}phenyl)methanamine

• ChemBase ID: 313882
• Molecular Formular: C17H22N2O
• Molecular Mass: 270.36938
• Monoisotopic Mass: 270.17321333
• SMILES: c1(c2c(CN)cccc2)c(OCCN(C)C)cccc1
• Canonical SMILES: NCc1ccccc1c1ccccc1OCCN(C)C
• InChI: InChI=1S/C17H22N2O/c1-19(2)11-12-20-17-10-6-5-9-16(17)15-8-4-3-7-14(15)13-18/h3-10H,11-13,18H2,1-2H3
• InChIKey: MPWCKZZZRRGCCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{2-[2-(dimethylamino)ethoxy]phenyl}phenyl)methanamine
• IUPAC Traditional name: (2-{2-[2-(dimethylamino)ethoxy]phenyl}phenyl)methanamine
• Synonyms: (2-{[2'-(aminomethyl)biphenyl-2-yl]oxy}ethyl)dimethylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4498088
• LogD (pH = 7.4): -0.94685817
• Log P: 2.6072128
• Molar Refractivity: 84.1499 cm^3
• Polarizability: 34.338924 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.37
• LOG S: -2.19
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 6