1-Pyrrolidineethanol, alpha-((2,3-dimethylphenoxy)methyl)-2,2,5,5-tetramethyl-, hydrochloride

HCID 218969

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Basic information

CAS: 41456-87-5
Standard SMILES: Cc1cccc(OCC(O)CN2C(C)(C)CCC2(C)C)c1C.Cl
InChIKey: RHHHPXAOLMFRHN-UHFFFAOYSA-N
Molecular formula: C19H32ClNO2
Average molar mass: 341.9 g/mol
Monoisotopic mass: 341.212157

Names & identifiers

Preferred name: 1-Pyrrolidineethanol, alpha-((2,3-dimethylphenoxy)methyl)-2,2,5,5-tetramethyl-, hydrochloride
IUPAC: 1-(2,3-dimethylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol;hydrochloride

Names & synonyms

41456-87-51-Pyrrolidineethanol, alpha-((2,3-dimethylphenoxy)methyl)-2,2,5,5-tetramethyl-, hydrochlorideRefChem:1057087alpha-((2,3-Dimethylphenoxy)methyl)-2,2,5,5-tetramethyl-1-pyrrolidineethanol hydrochlorideDTXSID609617041-(2,3-Dimethylphenoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol--hydrogen chloride (1/1)

Database identifiers

CAS: 41456-87-5
PubChem CID: 218969
DTXSID: DTXSID60961704

Properties

Computed structural properties

Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 350

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