2-Thiophenemethanol, alpha-(o-chlorobenzyl)-alpha-(2-(dimethylamino)ethyl)-, hydrochloride
Basic information
- CAS
2501-68-0- Standard SMILES
CN(C)CCC(O)(Cc1ccccc1Cl)c1cccs1.Cl- InChIKey
JSRBGHBVAJDDTA-UHFFFAOYSA-N- Molecular formula
- C16H21Cl2NOS
- Average molar mass
- 346.3 g/mol
- Monoisotopic mass
- 345.0720909
Names & identifiers
- Preferred name
- 2-Thiophenemethanol, alpha-(o-chlorobenzyl)-alpha-(2-(dimethylamino)ethyl)-, hydrochloride
- IUPAC
- 1-(2-chlorophenyl)-4-(dimethylamino)-2-thiophen-2-ylbutan-2-ol;hydrochloride
Names & synonyms
2501-68-02-Thiophenemethanol, alpha-(o-chlorobenzyl)-alpha-(2-(dimethylamino)ethyl)-, hydrochlorideRefChem:1064881alpha-(o-Chlorobenzyl)-alpha-(2-(dimethylamino)ethyl)-2-thiophenemethanol hydrochlorideDTXSID809478681-(2-Chlorophenyl)-4-(dimethylamino)-2-(thiophen-2-yl)butan-2-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
2501-68-0- PubChem CID
- 200675
- DTXSID
DTXSID80947868
Properties
Computed structural properties
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 302
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Compound notes
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