[(2-fluoro-5-methoxyphenyl)methyl](methyl)[(2-methyl-1,3-thiazol-4-yl)methyl]amine

• ChemBase ID: 469502
• Molecular Formular: C14H17FN2OS
• Molecular Mass: 280.3609832
• Monoisotopic Mass: 280.10456239
• SMILES: n1c(csc1C)CN(Cc1c(ccc(c1)OC)F)C
• Canonical SMILES: COc1ccc(c(c1)CN(Cc1csc(n1)C)C)F
• InChI: InChI=1S/C14H17FN2OS/c1-10-16-12(9-19-10)8-17(2)7-11-6-13(18-3)4-5-14(11)15/h4-6,9H,7-8H2,1-3H3
• InChIKey: FRRIUZDSZHERQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-fluoro-5-methoxyphenyl)methyl](methyl)[(2-methyl-1,3-thiazol-4-yl)methyl]amine
• IUPAC Traditional name: [(2-fluoro-5-methoxyphenyl)methyl](methyl)[(2-methyl-1,3-thiazol-4-yl)methyl]amine
• Synonyms: (2-fluoro-5-methoxybenzyl)methyl[(2-methyl-1,3-thiazol-4-yl)methyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.022318
• LogD (pH = 7.4): 2.4771044
• Log P: 2.4874759
• Molar Refractivity: 75.0198 cm^3
• Polarizability: 28.69522 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.77
• LOG S: -2.6
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 5