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

HCID 218992

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Basic information

CAS: 41457-18-5
Standard SMILES: CC1(C)CCC(C)(C)N1CC(O)COCCc1ccccc1.Cl
InChIKey: NFILFYQNUCNPPM-UHFFFAOYSA-N
Molecular formula: C19H32ClNO2
Average molar mass: 341.9 g/mol
Monoisotopic mass: 341.212157

Names & identifiers

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

Names & synonyms

41457-18-51-Pyrrolidineethanol, alpha-((2-phenylethoxy)methyl)-2,2,5,5-tetramethyl-, hydrochlorideRefChem:1057089alpha-((2-Phenylethoxy)methyl)-2,2,5,5-tetramethyl-1-pyrrolidineethanol hydrochlorideDTXSID109617191-(2-Phenylethoxy)-3-(2,2,5,5-tetramethylpyrrolidin-1-yl)propan-2-ol--hydrogen chloride (1/1)

Database identifiers

CAS: 41457-18-5
PubChem CID: 218992
DTXSID: DTXSID10961719

Properties

Computed structural properties

Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 23
Formal charge: 0
Complexity: 318

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