(2-methoxyethyl)(pyridin-4-ylmethyl)(thiophen-2-ylmethyl)amine

• ChemBase ID: 536219
• Molecular Formular: C14H18N2OS
• Molecular Mass: 262.37052
• Monoisotopic Mass: 262.11398421
• SMILES: s1c(ccc1)CN(Cc1ccncc1)CCOC
• Canonical SMILES: COCCN(Cc1cccs1)Cc1ccncc1
• InChI: InChI=1S/C14H18N2OS/c1-17-9-8-16(12-14-3-2-10-18-14)11-13-4-6-15-7-5-13/h2-7,10H,8-9,11-12H2,1H3
• InChIKey: JBDPTVBHIOYLDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)(pyridin-4-ylmethyl)(thiophen-2-ylmethyl)amine
• IUPAC Traditional name: (2-methoxyethyl)(pyridin-4-ylmethyl)(thiophen-2-ylmethyl)amine
• Synonyms: (2-methoxyethyl)(pyridin-4-ylmethyl)(2-thienylmethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.089115486
• LogD (pH = 7.4): 1.6629524
• Log P: 2.2873492
• Molar Refractivity: 74.9898 cm^3
• Polarizability: 29.093344 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.95
• LOG S: -0.47
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 7