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

HCID 205140

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Basic information

CAS: 17512-44-6
Standard SMILES: CC(C)N(CCCl)Cc1csc2ccc(Cl)cc12.Cl
InChIKey: OQHJWRRRMUGPSP-UHFFFAOYSA-N
Molecular formula: C14H18Cl3NS
Average molar mass: 338.7 g/mol
Monoisotopic mass: 337.022554

Names & identifiers

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

Names & synonyms

Benzo(b)thiophene-3-methylamine, 5-chloro-N-(2-chloroethyl)-N-isopropyl-, hydrochloride5-Chloro-N-(2-chloroethyl)-N-isopropylbenzo(b)thiophene-3-methylamine hydrochloride17512-44-6DTXSID90169938Benzo(b)thiophene-3-methanamine, 5-chloro-N-(2-chloroethyl)-N-(1-methylethyl)-, hydrochlorideRefChem:326257DTXCID8092429N-[(5-Chloro-1-benzothiophen-3-yl)methyl]-N-(2-chloroethyl)propan-2-amine--hydrogen chloride (1/1)

Database identifiers

CAS: 17512-44-6
PubChem CID: 205140
DTXSID: DTXSID90169938

Properties

Computed structural properties

Topological polar surface area: 31.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 262

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