3-Dimethylamino-2,2-dimethyl-7-hydroxy-1-tetralol
Basic information
- CAS
104753-60-8- Standard SMILES
CN(C)C1Cc2ccc(O)cc2C(O)C1(C)C- InChIKey
JLARSPTVJNSNEP-UHFFFAOYSA-N- Molecular formula
- C14H21NO2
- Average molar mass
- 235.32 g/mol
- Monoisotopic mass
- 235.15722891
Overview
opioid antagonist; structure given in first source
Names & identifiers
- Preferred name
- 3-Dimethylamino-2,2-dimethyl-7-hydroxy-1-tetralol
- IUPAC
- 3-(dimethylamino)-2,2-dimethyl-3,4-dihydro-1H-naphthalene-1,7-diol
- English name
- 3-dimethylamino-2,2-dimethyl-7-hydroxy-1-tetralol
- Molecular formula
- C14H21NO2
- Molecular weight
- 235.32
Names & synonyms
104753-60-83-Dimethylamino-2,2-dimethyl-7-hydroxy-1-tetralolRefChem:937183-Dadh-OL3-(Dimethylamino)-1,2,3,4-tetrahydro-2,2-dimethyl-1,7-naphthalenediolDTXSID109091711,7-Naphthalenediol, 3-(dimethylamino)-1,2,3,4-tetrahydro-2,2-dimethyl-3-(dimethylamino)-2,2-dimethyl-1,2,3,4-tetrahydronaphthalene-1,7-diol
Database identifiers
- CAS
104753-60-8- PubChem CID
- 128663
- DTXSID
DTXSID10909171
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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