2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol

C17H26FNO2 — CID 82771554

IUPAC2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol
SMILESCCC(CC)(C(O)c1cc(F)ccc1OC)N1CCCC1
InChIInChI=1S/C17H26FNO2/c1-4-17(5-2,19-10-6-7-11-19)16(20)14-12-13(18)8-9-15(14)21-3/h8-9,12,16,20H,4-7,10-11H2,1-3H3
InChIKeySLQHHUCTPGLIMF-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.52
Rot. Bonds6

About 2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol

2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol (PubChem CID 82771554) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol
PubChem CID82771554
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol
SMILESCCC(CC)(C(O)c1cc(F)ccc1OC)N1CCCC1
InChIInChI=1S/C17H26FNO2/c1-4-17(5-2,19-10-6-7-11-19)16(20)14-12-13(18)8-9-15(14)21-3/h8-9,12,16,20H,4-7,10-11H2,1-3H3
InChIKeySLQHHUCTPGLIMF-UHFFFAOYSA-N
XLogP3.52
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol
CID 82792077
2-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 116860302
1-(4-chloro-3-methoxyphenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79701026
1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 82768722
1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79069176
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79060702
1-(2,6-difluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79067738
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 61087261
(1S,2R)-1-amino-1-(5-fluoro-2-methoxyphenyl)-3-methylpentan-2-ol;hydrochloride
CID 171268211
1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027670

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol?
The IUPAC name of 2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol (CID 82771554) is 2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol.
What is the SMILES notation for 2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol?
The canonical SMILES for 2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol is CCC(CC)(C(O)c1cc(F)ccc1OC)N1CCCC1.
What is the InChIKey of 2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol?
The InChIKey is SLQHHUCTPGLIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-4-17(5-2,19-10-6-7-11-19)16(20)14-12-13(18)8-9-15(14)21-3/h8-9,12,16,20H,4-7,10-11H2,1-3H3.
What are the key properties of 2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol?
2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol has a molecular weight of 295.40 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol is sourced from PubChem (CID 82771554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).