2-(4,5-dibromofuran-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine

C13H20Br2N2O2 — CID 63972477

IUPAC2-(4,5-dibromofuran-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
SMILESCOCC1CCN(C(CN)c2cc(Br)c(Br)o2)CC1
InChIInChI=1S/C13H20Br2N2O2/c1-18-8-9-2-4-17(5-3-9)11(7-16)12-6-10(14)13(15)19-12/h6,9,11H,2-5,7-8,16H2,1H3
InChIKeyBYKNDIPHJFZXFT-UHFFFAOYSA-N
MW396.12 g/mol
LogP3.16
Rot. Bonds5

About 2-(4,5-dibromofuran-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine

2-(4,5-dibromofuran-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine (PubChem CID 63972477) has the molecular formula C13H20Br2N2O2 and a molecular weight of 396.12 g/mol. Its IUPAC name is 2-(4,5-dibromofuran-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(4,5-dibromofuran-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
PubChem CID63972477
Molecular FormulaC13H20Br2N2O2
Molecular Weight396.12 g/mol
Exact Mass393.99
IUPAC Name2-(4,5-dibromofuran-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
SMILESCOCC1CCN(C(CN)c2cc(Br)c(Br)o2)CC1
InChIInChI=1S/C13H20Br2N2O2/c1-18-8-9-2-4-17(5-3-9)11(7-16)12-6-10(14)13(15)19-12/h6,9,11H,2-5,7-8,16H2,1H3
InChIKeyBYKNDIPHJFZXFT-UHFFFAOYSA-N
XLogP3.16
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.12
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromofuran-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-(4,5-dibromofuran-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine (CID 63972477) is 2-(4,5-dibromofuran-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-(4,5-dibromofuran-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-(4,5-dibromofuran-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine is COCC1CCN(C(CN)c2cc(Br)c(Br)o2)CC1.
What is the InChIKey of 2-(4,5-dibromofuran-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
The InChIKey is BYKNDIPHJFZXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Br2N2O2/c1-18-8-9-2-4-17(5-3-9)11(7-16)12-6-10(14)13(15)19-12/h6,9,11H,2-5,7-8,16H2,1H3.
What are the key properties of 2-(4,5-dibromofuran-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine?
2-(4,5-dibromofuran-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine has a molecular weight of 396.12 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromofuran-2-yl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 63972477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).