2-ethyl-1-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol

C17H26FNO2 — CID 82792077

IUPAC2-ethyl-1-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol
SMILESCCC(CC)(C(O)c1cccc(OC)c1F)N1CCCC1
InChIInChI=1S/C17H26FNO2/c1-4-17(5-2,19-11-6-7-12-19)16(20)13-9-8-10-14(21-3)15(13)18/h8-10,16,20H,4-7,11-12H2,1-3H3
InChIKeyKZZKNNNHZWMDGO-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.52
Rot. Bonds6

About 2-ethyl-1-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol

2-ethyl-1-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol (PubChem CID 82792077) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 2-ethyl-1-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol
PubChem CID82792077
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name2-ethyl-1-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol
SMILESCCC(CC)(C(O)c1cccc(OC)c1F)N1CCCC1
InChIInChI=1S/C17H26FNO2/c1-4-17(5-2,19-11-6-7-12-19)16(20)13-9-8-10-14(21-3)15(13)18/h8-10,16,20H,4-7,11-12H2,1-3H3
InChIKeyKZZKNNNHZWMDGO-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-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol
CID 82771554
1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol
CID 82791751
2-ethoxy-2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-ol
CID 116752532
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol
CID 116751948
1-(2,6-difluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79067738
1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79069176
1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 82807900
1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-pyrrolidin-1-ylpropan-1-amine
CID 82808246
1-(2-fluoro-3-methoxyphenyl)-N,2-dimethyl-2-piperidin-1-ylpropan-1-amine
CID 82793255
1-(4-chloro-3-methoxyphenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79701026
1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol
CID 114744642
1-[(1R)-1-(2-fluoro-3-methoxyphenyl)propyl]piperazine
CID 171170213

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol?
The IUPAC name of 2-ethyl-1-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol (CID 82792077) is 2-ethyl-1-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol.
What is the SMILES notation for 2-ethyl-1-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol?
The canonical SMILES for 2-ethyl-1-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol is CCC(CC)(C(O)c1cccc(OC)c1F)N1CCCC1.
What is the InChIKey of 2-ethyl-1-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol?
The InChIKey is KZZKNNNHZWMDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-4-17(5-2,19-11-6-7-12-19)16(20)13-9-8-10-14(21-3)15(13)18/h8-10,16,20H,4-7,11-12H2,1-3H3.
What are the key properties of 2-ethyl-1-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol?
2-ethyl-1-(2-fluoro-3-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-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol is sourced from PubChem (CID 82792077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).