2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((4,5,6,7-tetrahydrobenzo(b)thien-3-yl)oxy)-, hydrochloride
Basic information
- CAS
85462-92-6- Standard SMILES
CC(C)(C)NCC(O)COc1csc2c1CCCC2.Cl- InChIKey
PDGJQVYUHANMLG-UHFFFAOYSA-N- Molecular formula
- C15H26ClNO2S
- Average molar mass
- 319.9 g/mol
- Monoisotopic mass
- 319.1372779
Names & identifiers
- Preferred name
- 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((4,5,6,7-tetrahydrobenzo(b)thien-3-yl)oxy)-, hydrochloride
- IUPAC
- 1-(tert-butylamino)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yloxy)propan-2-ol;hydrochloride
Names & synonyms
1-((1,1-Dimethylethyl)amino)-3-((4,5,6,7-tetrahydrobenzo(b)thien-3-yl)oxy)-2-propanol HCl85462-92-62-Propanol, 1-((1,1-dimethylethyl)amino)-3-((4,5,6,7-tetrahydrobenzo(b)thien-3-yl)oxy)-, hydrochlorideRefChem:265577DTXSID5010060001-(tert-Butylamino)-3-[(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)oxy]propan-2-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
85462-92-6- PubChem CID
- 3069907
- DTXSID
DTXSID501006000
Properties
Computed structural properties
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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