1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol

C18H27NO2 — CID 114744642

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol
SMILESCCC(CC)(C(O)c1cccc2c1OCC2)N1CCCC1
InChIInChI=1S/C18H27NO2/c1-3-18(4-2,19-11-5-6-12-19)17(20)15-9-7-8-14-10-13-21-16(14)15/h7-9,17,20H,3-6,10-13H2,1-2H3
InChIKeyZBDWFDFLRSIRJS-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.31
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol

1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol (PubChem CID 114744642) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol
PubChem CID114744642
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol
SMILESCCC(CC)(C(O)c1cccc2c1OCC2)N1CCCC1
InChIInChI=1S/C18H27NO2/c1-3-18(4-2,19-11-5-6-12-19)17(20)15-9-7-8-14-10-13-21-16(14)15/h7-9,17,20H,3-6,10-13H2,1-2H3
InChIKeyZBDWFDFLRSIRJS-UHFFFAOYSA-N
XLogP3.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutane-1,2-diol
CID 103448783
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 114745701
1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 68614116
2-ethyl-1-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol
CID 82792077
2,3-dihydro-1-benzofuran-7-yl(naphthalen-1-yl)methanol
CID 114743291
2,3-dihydro-1-benzofuran-7-yl-(5-ethylfuran-2-yl)methanol
CID 114743365
7-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89030364
2-amino-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102547105
1-(2,6-difluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79067738
1-(3,4-dihydro-2H-chromen-8-yl)butane-1,2-diol
CID 103454473
1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 105053334
[1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylbutyl]hydrazine
CID 105341923

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol (CID 114744642) is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol is CCC(CC)(C(O)c1cccc2c1OCC2)N1CCCC1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol?
The InChIKey is ZBDWFDFLRSIRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-18(4-2,19-11-5-6-12-19)17(20)15-9-7-8-14-10-13-21-16(14)15/h7-9,17,20H,3-6,10-13H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol?
1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol is sourced from PubChem (CID 114744642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).