1H-Pyrrole-1-ethanol, 2,5-dihydro-alpha-((3,4-dimethylphenoxy)methyl)-2,2,5,5-tetramethyl-, hydrochloride
Basic information
- CAS
41457-06-1- Standard SMILES
Cc1ccc(OCC(O)CN2C(C)(C)C=CC2(C)C)cc1C.Cl- InChIKey
JZLZGESTBFJUBV-UHFFFAOYSA-N- Molecular formula
- C19H30ClNO2
- Average molar mass
- 339.9 g/mol
- Monoisotopic mass
- 339.1965069
Names & identifiers
- Preferred name
- 1H-Pyrrole-1-ethanol, 2,5-dihydro-alpha-((3,4-dimethylphenoxy)methyl)-2,2,5,5-tetramethyl-, hydrochloride
- IUPAC
- 1-(3,4-dimethylphenoxy)-3-(2,2,5,5-tetramethylpyrrol-1-yl)propan-2-ol;hydrochloride
Names & synonyms
41457-06-11H-Pyrrole-1-ethanol, 2,5-dihydro-alpha-((3,4-dimethylphenoxy)methyl)-2,2,5,5-tetramethyl-, hydrochlorideRefChem:10585362,5-Dihydro-alpha-((3,4-dimethylphenoxy)methyl)-2,2,5,5-tetramethyl-1H-pyrrole-1-ethanol HClDTXSID109617141-(3,4-Dimethylphenoxy)-3-(2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-1-yl)propan-2-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
41457-06-1- PubChem CID
- 218988
- DTXSID
DTXSID10961714
Properties
Computed structural properties
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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