5-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]-1-methylpyrrolidin-3-ol

C21H26FNO2 — CID 22106920

IUPAC5-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]-1-methylpyrrolidin-3-ol
SMILESCN1CC(O)CC1CCOc1ccc(F)cc1CCc1ccccc1
InChIInChI=1S/C21H26FNO2/c1-23-15-20(24)14-19(23)11-12-25-21-10-9-18(22)13-17(21)8-7-16-5-3-2-4-6-16/h2-6,9-10,13,19-20,24H,7-8,11-12,14-15H2,1H3
InChIKeyZSNOHMQPQGHGQL-UHFFFAOYSA-N
MW343.44 g/mol
LogP3.44
Rot. Bonds7

About 5-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]-1-methylpyrrolidin-3-ol

5-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]-1-methylpyrrolidin-3-ol (PubChem CID 22106920) has the molecular formula C21H26FNO2 and a molecular weight of 343.44 g/mol. Its IUPAC name is 5-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name5-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]-1-methylpyrrolidin-3-ol
PubChem CID22106920
Molecular FormulaC21H26FNO2
Molecular Weight343.44 g/mol
Exact Mass343.19
IUPAC Name5-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]-1-methylpyrrolidin-3-ol
SMILESCN1CC(O)CC1CCOc1ccc(F)cc1CCc1ccccc1
InChIInChI=1S/C21H26FNO2/c1-23-15-20(24)14-19(23)11-12-25-21-10-9-18(22)13-17(21)8-7-16-5-3-2-4-6-16/h2-6,9-10,13,19-20,24H,7-8,11-12,14-15H2,1H3
InChIKeyZSNOHMQPQGHGQL-UHFFFAOYSA-N
XLogP3.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]-1-methylpyrrolidin-3-ol?
The IUPAC name of 5-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]-1-methylpyrrolidin-3-ol (CID 22106920) is 5-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 5-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]-1-methylpyrrolidin-3-ol?
The canonical SMILES for 5-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]-1-methylpyrrolidin-3-ol is CN1CC(O)CC1CCOc1ccc(F)cc1CCc1ccccc1.
What is the InChIKey of 5-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]-1-methylpyrrolidin-3-ol?
The InChIKey is ZSNOHMQPQGHGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO2/c1-23-15-20(24)14-19(23)11-12-25-21-10-9-18(22)13-17(21)8-7-16-5-3-2-4-6-16/h2-6,9-10,13,19-20,24H,7-8,11-12,14-15H2,1H3.
What are the key properties of 5-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]-1-methylpyrrolidin-3-ol?
5-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]-1-methylpyrrolidin-3-ol has a molecular weight of 343.44 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 22106920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).