[(2-fluoro-3-methoxyphenyl)methyl](methyl)(thiophen-3-ylmethyl)amine

• ChemBase ID: 712437
• Molecular Formular: C14H16FNOS
• Molecular Mass: 265.3463432
• Monoisotopic Mass: 265.09366336
• SMILES: c1(c(c(OC)ccc1)F)CN(Cc1cscc1)C
• Canonical SMILES: COc1cccc(c1F)CN(Cc1cscc1)C
• InChI: InChI=1S/C14H16FNOS/c1-16(8-11-6-7-18-10-11)9-12-4-3-5-13(17-2)14(12)15/h3-7,10H,8-9H2,1-2H3
• InChIKey: CDNBLHJGLYRFAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-fluoro-3-methoxyphenyl)methyl](methyl)(thiophen-3-ylmethyl)amine
• IUPAC Traditional name: [(2-fluoro-3-methoxyphenyl)methyl](methyl)(thiophen-3-ylmethyl)amine
• Synonyms: (2-fluoro-3-methoxybenzyl)methyl(3-thienylmethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7030646
• LogD (pH = 7.4): 3.1923318
• Log P: 3.4045882
• Molar Refractivity: 72.9987 cm^3
• Polarizability: 27.792366 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.39
• LOG S: -3.02
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 5