(1-benzothiophen-2-ylmethyl)(methyl)amine

• ChemBase ID: 310377
• Molecular Formular: C10H11NS
• Molecular Mass: 177.26604
• Monoisotopic Mass: 177.06122036
• SMILES: s1c(cc2c1cccc2)CNC
• Canonical SMILES: CNCc1cc2c(s1)cccc2
• InChI: InChI=1S/C10H11NS/c1-11-7-9-6-8-4-2-3-5-10(8)12-9/h2-6,11H,7H2,1H3
• InChIKey: FKHVKIIMXLUFHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-benzothiophen-2-ylmethyl)(methyl)amine
• IUPAC Traditional name: (1-benzothiophen-2-ylmethyl)(methyl)amine
• Synonyms: (1-benzothien-2-ylmethyl)methylamine

Database IDs

• CAS Number: 335032-47-8
• MDL Number: MFCD03698066

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6244274
• LogD (pH = 7.4): 0.51263654
• Log P: 2.5400589
• Molar Refractivity: 52.4302 cm^3
• Polarizability: 21.76213 Å^3
• Polar Surface Area: 12.03 Å^2