Basic information
- CAS
41456-85-3- Standard SMILES
Cc1cccc(OCC(O)CN2C(C)(C)CCC2(C)C)c1.Cl- InChIKey
URAGOCBTPWLNRZ-UHFFFAOYSA-N- Molecular formula
- C18H30ClNO2
- Average molar mass
- 327.9 g/mol
- Monoisotopic mass
- 327.1965069
Names & identifiers
- Preferred name
- 1-Pyrrolidineethanol, alpha-((3-methylphenoxy)methyl)-2,2,5,5-tetramethyl-, hydrochloride
- IUPAC
- 1-(3-methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol;hydrochloride
Names & synonyms
41456-85-31-Pyrrolidineethanol, alpha-((3-methylphenoxy)methyl)-2,2,5,5-tetramethyl-, hydrochlorideRefChem:10570901-Pyrrolidineethanol, 2,2,5,5-tetramethyl-alpha-((m-tolyloxy)methyl)-, hydrochloridealpha-((3-Methylphenoxy)methyl)-2,2,5,5-tetramethyl-1-pyrrolidineethanol hydrochlorideDTXSID409617021-(3-Methylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol--hydrogen chloride (1/1)
Database identifiers
- CAS
41456-85-3- PubChem CID
- 218965
- DTXSID
DTXSID40961702
Properties
Computed structural properties
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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