dimethyl(1-{3-[4-(morpholin-4-yl)phenyl]phenyl}ethyl)amine

• ChemBase ID: 861889
• Molecular Formular: C20H26N2O
• Molecular Mass: 310.43324
• Monoisotopic Mass: 310.20451346
• SMILES: N1(c2ccc(c3cc(C(N(C)C)C)ccc3)cc2)CCOCC1
• Canonical SMILES: CN(C(c1cccc(c1)c1ccc(cc1)N1CCOCC1)C)C
• InChI: InChI=1S/C20H26N2O/c1-16(21(2)3)18-5-4-6-19(15-18)17-7-9-20(10-8-17)22-11-13-23-14-12-22/h4-10,15-16H,11-14H2,1-3H3
• InChIKey: GBDGVHOWXBCIDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(1-{3-[4-(morpholin-4-yl)phenyl]phenyl}ethyl)amine
• IUPAC Traditional name: dimethyl(1-{3-[4-(morpholin-4-yl)phenyl]phenyl}ethyl)amine
• Synonyms: N,N-dimethyl-1-(4'-morpholin-4-ylbiphenyl-3-yl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.50813556
• LogD (pH = 7.4): 1.8624398
• Log P: 3.8679864
• Molar Refractivity: 97.6588 cm^3
• Polarizability: 38.729797 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.22
• LOG S: -3.21
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 4