Basic information
- CAS
16662-42-3- Standard SMILES
Cc1ccc2c(CN(CCCl)C(C)(C)C)csc2c1.Cl- InChIKey
CDHPSQPUVPLBJZ-UHFFFAOYSA-N- Molecular formula
- C16H23Cl2NS
- Average molar mass
- 332.3 g/mol
- Monoisotopic mass
- 331.0928263
Names & identifiers
- Preferred name
- Benzo(b)thiophene-3-methylamine, N-tert-butyl-N-(2-chloroethyl)-6-methyl-, hydrochloride
- IUPAC
- N-(2-chloroethyl)-2-methyl-N-[(6-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine;hydrochloride
Names & synonyms
Benzo(b)thiophene-3-methylamine, N-tert-butyl-N-(2-chloroethyl)-6-methyl-, hydrochlorideN-tert-Butyl-N-(2-chloroethyl)-6-methylbenzo(b)thiophene-3-methylamine hydrochloride16662-42-3DTXSID50168144RefChem:326277DTXCID4090635N-(2-Chloroethyl)-2-methyl-N-[(6-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
16662-42-3- PubChem CID
- 204599
- DTXSID
DTXSID50168144
Properties
Computed structural properties
- Topological polar surface area
- 31.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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