2-(4,5-dibromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine

C14H13Br2FN2O — CID 103494492

IUPAC2-(4,5-dibromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
SMILESNCC(c1cc(Br)c(Br)o1)N1CCc2ccc(F)cc21
InChIInChI=1S/C14H13Br2FN2O/c15-10-6-13(20-14(10)16)12(7-18)19-4-3-8-1-2-9(17)5-11(8)19/h1-2,5-6,12H,3-4,7,18H2
InChIKeyGWWUKMGFLGWCNI-UHFFFAOYSA-N
MW404.08 g/mol
LogP4.01
Rot. Bonds3

About 2-(4,5-dibromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine

2-(4,5-dibromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine (PubChem CID 103494492) has the molecular formula C14H13Br2FN2O and a molecular weight of 404.08 g/mol. Its IUPAC name is 2-(4,5-dibromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4,5-dibromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
PubChem CID103494492
Molecular FormulaC14H13Br2FN2O
Molecular Weight404.08 g/mol
Exact Mass401.94
IUPAC Name2-(4,5-dibromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
SMILESNCC(c1cc(Br)c(Br)o1)N1CCc2ccc(F)cc21
InChIInChI=1S/C14H13Br2FN2O/c15-10-6-13(20-14(10)16)12(7-18)19-4-3-8-1-2-9(17)5-11(8)19/h1-2,5-6,12H,3-4,7,18H2
InChIKeyGWWUKMGFLGWCNI-UHFFFAOYSA-N
XLogP4.01
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.08
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine?
The IUPAC name of 2-(4,5-dibromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine (CID 103494492) is 2-(4,5-dibromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine.
What is the SMILES notation for 2-(4,5-dibromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine?
The canonical SMILES for 2-(4,5-dibromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine is NCC(c1cc(Br)c(Br)o1)N1CCc2ccc(F)cc21.
What is the InChIKey of 2-(4,5-dibromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine?
The InChIKey is GWWUKMGFLGWCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2FN2O/c15-10-6-13(20-14(10)16)12(7-18)19-4-3-8-1-2-9(17)5-11(8)19/h1-2,5-6,12H,3-4,7,18H2.
What are the key properties of 2-(4,5-dibromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine?
2-(4,5-dibromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine has a molecular weight of 404.08 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine is sourced from PubChem (CID 103494492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).