2-(4,5-dibromofuran-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine

C13H20Br2N2O — CID 55032552

IUPAC2-(4,5-dibromofuran-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine
SMILESCCC1CCN(C(CN)c2cc(Br)c(Br)o2)CC1
InChIInChI=1S/C13H20Br2N2O/c1-2-9-3-5-17(6-4-9)11(8-16)12-7-10(14)13(15)18-12/h7,9,11H,2-6,8,16H2,1H3
InChIKeyYUJLORIFOSANRO-UHFFFAOYSA-N
MW380.12 g/mol
LogP3.93
Rot. Bonds4

About 2-(4,5-dibromofuran-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine

2-(4,5-dibromofuran-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine (PubChem CID 55032552) has the molecular formula C13H20Br2N2O and a molecular weight of 380.12 g/mol. Its IUPAC name is 2-(4,5-dibromofuran-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4,5-dibromofuran-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine
PubChem CID55032552
Molecular FormulaC13H20Br2N2O
Molecular Weight380.12 g/mol
Exact Mass377.99
IUPAC Name2-(4,5-dibromofuran-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine
SMILESCCC1CCN(C(CN)c2cc(Br)c(Br)o2)CC1
InChIInChI=1S/C13H20Br2N2O/c1-2-9-3-5-17(6-4-9)11(8-16)12-7-10(14)13(15)18-12/h7,9,11H,2-6,8,16H2,1H3
InChIKeyYUJLORIFOSANRO-UHFFFAOYSA-N
XLogP3.93
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.12
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4,5-dibromofuran-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromofuran-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(4,5-dibromofuran-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine (CID 55032552) is 2-(4,5-dibromofuran-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4,5-dibromofuran-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(4,5-dibromofuran-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine is CCC1CCN(C(CN)c2cc(Br)c(Br)o2)CC1.
What is the InChIKey of 2-(4,5-dibromofuran-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine?
The InChIKey is YUJLORIFOSANRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Br2N2O/c1-2-9-3-5-17(6-4-9)11(8-16)12-7-10(14)13(15)18-12/h7,9,11H,2-6,8,16H2,1H3.
What are the key properties of 2-(4,5-dibromofuran-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine?
2-(4,5-dibromofuran-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine has a molecular weight of 380.12 g/mol, XLogP of 3.93, 4 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-(4-ethylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 55032552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).