2-[2-[2-[2-(3-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine

C21H26FNO — CID 10761245

IUPAC2-[2-[2-[2-(3-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
SMILESCN1CCCC1CCOc1ccccc1CCc1cccc(F)c1
InChIInChI=1S/C21H26FNO/c1-23-14-5-9-20(23)13-15-24-21-10-3-2-7-18(21)12-11-17-6-4-8-19(22)16-17/h2-4,6-8,10,16,20H,5,9,11-15H2,1H3
InChIKeyRSECLZHMVXGSLB-UHFFFAOYSA-N
MW327.44 g/mol
LogP4.47
Rot. Bonds7

About 2-[2-[2-[2-(3-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine

2-[2-[2-[2-(3-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine (PubChem CID 10761245) has the molecular formula C21H26FNO and a molecular weight of 327.44 g/mol. Its IUPAC name is 2-[2-[2-[2-(3-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[2-[2-[2-(3-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
PubChem CID10761245
Molecular FormulaC21H26FNO
Molecular Weight327.44 g/mol
Exact Mass327.20
IUPAC Name2-[2-[2-[2-(3-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
SMILESCN1CCCC1CCOc1ccccc1CCc1cccc(F)c1
InChIInChI=1S/C21H26FNO/c1-23-14-5-9-20(23)13-15-24-21-10-3-2-7-18(21)12-11-17-6-4-8-19(22)16-17/h2-4,6-8,10,16,20H,5,9,11-15H2,1H3
InChIKeyRSECLZHMVXGSLB-UHFFFAOYSA-N
XLogP4.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(3-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine?
The IUPAC name of 2-[2-[2-[2-(3-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine (CID 10761245) is 2-[2-[2-[2-(3-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine.
What is the SMILES notation for 2-[2-[2-[2-(3-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine?
The canonical SMILES for 2-[2-[2-[2-(3-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine is CN1CCCC1CCOc1ccccc1CCc1cccc(F)c1.
What is the InChIKey of 2-[2-[2-[2-(3-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine?
The InChIKey is RSECLZHMVXGSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO/c1-23-14-5-9-20(23)13-15-24-21-10-3-2-7-18(21)12-11-17-6-4-8-19(22)16-17/h2-4,6-8,10,16,20H,5,9,11-15H2,1H3.
What are the key properties of 2-[2-[2-[2-(3-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine?
2-[2-[2-[2-(3-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine has a molecular weight of 327.44 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(3-fluorophenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine is sourced from PubChem (CID 10761245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).