2-(3-bromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine

C14H14BrFN2O — CID 106885883

IUPAC2-(3-bromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
SMILESNCC(c1occc1Br)N1CCc2ccc(F)cc21
InChIInChI=1S/C14H14BrFN2O/c15-11-4-6-19-14(11)13(8-17)18-5-3-9-1-2-10(16)7-12(9)18/h1-2,4,6-7,13H,3,5,8,17H2
InChIKeyGYBFETVLJBNZSB-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.24
Rot. Bonds3

About 2-(3-bromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine

2-(3-bromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine (PubChem CID 106885883) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
PubChem CID106885883
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC Name2-(3-bromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
SMILESNCC(c1occc1Br)N1CCc2ccc(F)cc21
InChIInChI=1S/C14H14BrFN2O/c15-11-4-6-19-14(11)13(8-17)18-5-3-9-1-2-10(16)7-12(9)18/h1-2,4,6-7,13H,3,5,8,17H2
InChIKeyGYBFETVLJBNZSB-UHFFFAOYSA-N
XLogP3.24
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine?
The IUPAC name of 2-(3-bromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine (CID 106885883) is 2-(3-bromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine?
The canonical SMILES for 2-(3-bromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine is NCC(c1occc1Br)N1CCc2ccc(F)cc21.
What is the InChIKey of 2-(3-bromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine?
The InChIKey is GYBFETVLJBNZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c15-11-4-6-19-14(11)13(8-17)18-5-3-9-1-2-10(16)7-12(9)18/h1-2,4,6-7,13H,3,5,8,17H2.
What are the key properties of 2-(3-bromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine?
2-(3-bromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine has a molecular weight of 325.18 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine is sourced from PubChem (CID 106885883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).