Ethanol, 2-(((5-bromobenzo(b)thien-3-yl)methyl)-tert-butylamino)-, hydrochloride
Basic information
- CAS
16584-15-9- Standard SMILES
CC(C)(C)N(CCO)Cc1csc2ccc(Br)cc12.Cl- InChIKey
SJNXNNXDKMJQOX-UHFFFAOYSA-N- Molecular formula
- C15H21BrClNOS
- Average molar mass
- 378.8 g/mol
- Monoisotopic mass
- 377.02158
Names & identifiers
- Preferred name
- Ethanol, 2-(((5-bromobenzo(b)thien-3-yl)methyl)-tert-butylamino)-, hydrochloride
- IUPAC
- 2-[(5-bromo-1-benzothiophen-3-yl)methyl-tert-butylamino]ethanol;hydrochloride
Names & synonyms
Ethanol, 2-(((5-bromobenzo(b)thien-3-yl)methyl)-tert-butylamino)-, hydrochloride16584-15-9DTXSID301680412-(((5-Bromobenzo(b)thien-3-yl)methyl)-tert-butylamino)ethanol hydrochlorideEthanol, 2-(((5-bromobenzo(b)thien-3-yl)methyl)(1,1-dimethylethyl)amino)-, hydrochlorideRefChem:340738DTXCID60905322-{[(5-Bromo-1-benzothiophen-3-yl)methyl](tert-butyl)amino}ethan-1-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
16584-15-9- PubChem CID
- 204564
- DTXSID
DTXSID30168041
Properties
Computed structural properties
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 294
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Compound notes
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