1-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol;hydrochloride

C20H25ClFNO2 — CID 67660130

IUPAC1-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CCN(CCOc2ccc(F)cc2CCc2ccccc2)C1
InChIInChI=1S/C20H24FNO2.ClH/c21-18-8-9-20(24-13-12-22-11-10-19(23)15-22)17(14-18)7-6-16-4-2-1-3-5-16;/h1-5,8-9,14,19,23H,6-7,10-13,15H2;1H
InChIKeyOHWSBFZLZJDMAR-UHFFFAOYSA-N
MW365.88 g/mol
LogP3.48
Rot. Bonds7

About 1-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol;hydrochloride

1-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 67660130) has the molecular formula C20H25ClFNO2 and a molecular weight of 365.88 g/mol. Its IUPAC name is 1-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name1-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol;hydrochloride
PubChem CID67660130
Molecular FormulaC20H25ClFNO2
Molecular Weight365.88 g/mol
Exact Mass365.16
IUPAC Name1-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CCN(CCOc2ccc(F)cc2CCc2ccccc2)C1
InChIInChI=1S/C20H24FNO2.ClH/c21-18-8-9-20(24-13-12-22-11-10-19(23)15-22)17(14-18)7-6-16-4-2-1-3-5-16;/h1-5,8-9,14,19,23H,6-7,10-13,15H2;1H
InChIKeyOHWSBFZLZJDMAR-UHFFFAOYSA-N
XLogP3.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 1-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol;hydrochloride (CID 67660130) is 1-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 1-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 1-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol;hydrochloride is Cl.OC1CCN(CCOc2ccc(F)cc2CCc2ccccc2)C1.
What is the InChIKey of 1-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is OHWSBFZLZJDMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2.ClH/c21-18-8-9-20(24-13-12-22-11-10-19(23)15-22)17(14-18)7-6-16-4-2-1-3-5-16;/h1-5,8-9,14,19,23H,6-7,10-13,15H2;1H.
What are the key properties of 1-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol;hydrochloride?
1-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 365.88 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-fluoro-2-(2-phenylethyl)phenoxy]ethyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 67660130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).