Pyrrolidine, 1-(4-(p-fluorophenoxy)butyl)-3-(o-methoxyphenoxy)-, hydrochloride

HCID 211403

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Basic information

CAS: 23026-54-2
Standard SMILES: COc1ccccc1OC1CCN(CCCCOc2ccc(F)cc2)C1.Cl
InChIKey: QRTFRENZXZDDMI-UHFFFAOYSA-N
Molecular formula: C21H27ClFNO3
Average molar mass: 395.9 g/mol
Monoisotopic mass: 395.1663496

Names & identifiers

Preferred name: Pyrrolidine, 1-(4-(p-fluorophenoxy)butyl)-3-(o-methoxyphenoxy)-, hydrochloride
IUPAC: 1-[4-(4-fluorophenoxy)butyl]-3-(2-methoxyphenoxy)pyrrolidine;hydrochloride

Names & synonyms

23026-54-21-(4-(p-Fluorophenoxy)butyl)-3-(o-methoxyphenoxy)-pyrrolidine hydrochloridePyrrolidine, 1-(4-(p-fluorophenoxy)butyl)-3-(o-methoxyphenoxy)-, hydrochlorideRefChem:378017DTXSID509457151-[4-(4-Fluorophenoxy)butyl]-3-(2-methoxyphenoxy)pyrrolidine--hydrogen chloride (1/1)

Database identifiers

CAS: 23026-54-2
PubChem CID: 211403
DTXSID: DTXSID50945715

Properties

Computed structural properties

Topological polar surface area: 30.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 9
Heavy atoms: 27
Formal charge: 0
Complexity: 389

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