3-((2S,3S)-1-(Dimethylamino)-2-methylpentan-3-yl)phenol hydrochloride
Basic information
- CAS
175591-10-3- Standard SMILES
CC[C@H](c1cccc(O)c1)[C@H](C)CN(C)C.Cl- InChIKey
ZELFLGGRLLOERW-GGMFNZDASA-N- Molecular formula
- C14H24ClNO
- Average molar mass
- 257.8 g/mol
- Monoisotopic mass
- 257.1546421
Names & identifiers
- Preferred name
- 3-((2S,3S)-1-(Dimethylamino)-2-methylpentan-3-yl)phenol hydrochloride
- IUPAC
- 3-[(2S,3S)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;hydrochloride
Names & synonyms
175591-10-33-((2S,3S)-1-(Dimethylamino)-2-methylpentan-3-yl)phenol hydrochloride(1S,2S)-Tapentadol Hydrochloride3-[(2S,3S)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;hydrochlorideTapentadol D5YB75T3KAY9S,S-Tapentadol HydrochlorideSCHEMBL149513CHEMBL3898205ARD10556D51217724-63-4175591-23-8 (Unalbelled)
Show more names
Tapentadol hydrochloride, (1S,2S)-AKOS015909138Phenol, 3-[(1S,2S)-3-(dimethylamino)-1-ethyl-2-methylpropyl]-, hydrochloride(1S,2S)-Tapentadol Hydrochloride; Phenol, 3-[(1S,2S)-3-(dimethylamino)-1-ethyl-2-methylpropyl]-, hydrochloride (1:1); Phenol, 3-[(1S,2S)-3-(dimethylamino)-1-ethyl-2-methylpropyl]-, hydrochloride (9CI); Phenol, 3-[3-(dimethylamino)-1-ethyl-2-methylpropyl]-, hydrochloride, [S-(R*,R*)]-; 3-(
Database identifiers
- CAS
175591-10-3- PubChem CID
- 56845366
- ChEMBL
CHEMBL3898205- UNII
- YB75T3KAY9
Properties
Computed structural properties
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 193
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Compound notes
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