Benzo(b)thiophene-3-methylamine, N-tert-butyl-5-chloro-N-(2-chloroethyl)-, hydrochloride

HCID 205142

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Basic information

CAS: 17512-45-7
Standard SMILES: CC(C)(C)N(CCCl)Cc1csc2ccc(Cl)cc12.Cl
InChIKey: MVUDHSXUTYZJQV-UHFFFAOYSA-N
Molecular formula: C15H20Cl3NS
Average molar mass: 352.7 g/mol
Monoisotopic mass: 351.038204

Names & identifiers

Preferred name: Benzo(b)thiophene-3-methylamine, N-tert-butyl-5-chloro-N-(2-chloroethyl)-, hydrochloride
IUPAC: N-[(5-chloro-1-benzothiophen-3-yl)methyl]-N-(2-chloroethyl)-2-methylpropan-2-amine;hydrochloride

Names & synonyms

Benzo(b)thiophene-3-methylamine, N-tert-butyl-5-chloro-N-(2-chloroethyl)-, hydrochlorideN-tert-Butyl-5-chloro-N-(2-chloroethyl)benzo(b)thiophene-3-methylamine hydrochloride17512-45-7DTXSID50169939Benzo(b)thiophene-3-methanamine, 5-chloro-N-(2-chloroethyl)-N-(1,1-dimethylethyl)-, HClRefChem:326273DTXCID7092430N-[(5-Chloro-1-benzothiophen-3-yl)methyl]-N-(2-chloroethyl)-2-methylpropan-2-amine--hydrogen chloride (1/1)

Database identifiers

CAS: 17512-45-7
PubChem CID: 205142
DTXSID: DTXSID50169939

Properties

Computed structural properties

Topological polar surface area: 31.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 292

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