[(5-cyclopentylthiophen-2-yl)methyl][2-methoxy-1-(pyridin-2-yl)ethyl]methylamine

• ChemBase ID: 705475
• Molecular Formular: C19H26N2OS
• Molecular Mass: 330.48754
• Monoisotopic Mass: 330.17658446
• SMILES: s1c(ccc1CN(C(c1ncccc1)COC)C)C1CCCC1
• Canonical SMILES: COCC(c1ccccn1)N(Cc1ccc(s1)C1CCCC1)C
• InChI: InChI=1S/C19H26N2OS/c1-21(18(14-22-2)17-9-5-6-12-20-17)13-16-10-11-19(23-16)15-7-3-4-8-15/h5-6,9-12,15,18H,3-4,7-8,13-14H2,1-2H3
• InChIKey: KPIJEXJABVOBQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-cyclopentylthiophen-2-yl)methyl][2-methoxy-1-(pyridin-2-yl)ethyl]methylamine
• IUPAC Traditional name: [(5-cyclopentylthiophen-2-yl)methyl][2-methoxy-1-(pyridin-2-yl)ethyl]methylamine
• Synonyms: N-[(5-cyclopentyl-2-thienyl)methyl]-2-methoxy-N-methyl-1-pyridin-2-ylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.790202
• LogD (pH = 7.4): 4.211239
• Log P: 4.3836374
• Molar Refractivity: 95.6646 cm^3
• Polarizability: 37.49611 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: 3.29
• LOG S: -2.11
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 7