Benzo(b)thiophene-3-methylamine, 5-bromo-N-tert-butyl-N-(2-chloroethyl)-, hydrochloride
Basic information
- CAS
17512-51-5- Standard SMILES
CCCCN(CCCl)Cc1csc2ccc(Br)cc12.Cl- InChIKey
FZXQWGZEHGTHQQ-UHFFFAOYSA-N- Molecular formula
- C15H20BrCl2NS
- Average molar mass
- 397.2 g/mol
- Monoisotopic mass
- 394.98769
Names & identifiers
- Preferred name
- Benzo(b)thiophene-3-methylamine, 5-bromo-N-tert-butyl-N-(2-chloroethyl)-, hydrochloride
- IUPAC
- N-[(5-bromo-1-benzothiophen-3-yl)methyl]-N-(2-chloroethyl)butan-1-amine;hydrochloride
Names & synonyms
Benzo(b)thiophene-3-methylamine, 5-bromo-N-tert-butyl-N-(2-chloroethyl)-, hydrochloride5-Bromo-N-tert-butyl-N-(2-chloroethyl)benzo(b)thiophene-3-methylamine hydrochloride17512-51-5DTXSID60169940Benzo(b)thiophene-3-methanamine, 5-bromo-N-(2-chloroethyl)-N-(1,1-dimethylethyl)-, HClRefChem:326256DTXCID2092431N-[(5-Bromo-1-benzothiophen-3-yl)methyl]-N-(2-chloroethyl)butan-1-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
17512-51-5- PubChem CID
- 205144
- DTXSID
DTXSID60169940
Properties
Computed structural properties
- Topological polar surface area
- 31.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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