2-(4,5-dibromofuran-2-yl)-2-(3-methylpyrrolidin-1-yl)ethanamine

C11H16Br2N2O — CID 62085064

IUPAC2-(4,5-dibromofuran-2-yl)-2-(3-methylpyrrolidin-1-yl)ethanamine
SMILESCC1CCN(C(CN)c2cc(Br)c(Br)o2)C1
InChIInChI=1S/C11H16Br2N2O/c1-7-2-3-15(6-7)9(5-14)10-4-8(12)11(13)16-10/h4,7,9H,2-3,5-6,14H2,1H3
InChIKeyWTGCVWRSDNQIMS-UHFFFAOYSA-N
MW352.07 g/mol
LogP3.15
Rot. Bonds3

About 2-(4,5-dibromofuran-2-yl)-2-(3-methylpyrrolidin-1-yl)ethanamine

2-(4,5-dibromofuran-2-yl)-2-(3-methylpyrrolidin-1-yl)ethanamine (PubChem CID 62085064) has the molecular formula C11H16Br2N2O and a molecular weight of 352.07 g/mol. Its IUPAC name is 2-(4,5-dibromofuran-2-yl)-2-(3-methylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4,5-dibromofuran-2-yl)-2-(3-methylpyrrolidin-1-yl)ethanamine
PubChem CID62085064
Molecular FormulaC11H16Br2N2O
Molecular Weight352.07 g/mol
Exact Mass349.96
IUPAC Name2-(4,5-dibromofuran-2-yl)-2-(3-methylpyrrolidin-1-yl)ethanamine
SMILESCC1CCN(C(CN)c2cc(Br)c(Br)o2)C1
InChIInChI=1S/C11H16Br2N2O/c1-7-2-3-15(6-7)9(5-14)10-4-8(12)11(13)16-10/h4,7,9H,2-3,5-6,14H2,1H3
InChIKeyWTGCVWRSDNQIMS-UHFFFAOYSA-N
XLogP3.15
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.07
LogP ≤ 53.15
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-(3-methylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(4,5-dibromofuran-2-yl)-2-(3-methylpyrrolidin-1-yl)ethanamine (CID 62085064) is 2-(4,5-dibromofuran-2-yl)-2-(3-methylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4,5-dibromofuran-2-yl)-2-(3-methylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(4,5-dibromofuran-2-yl)-2-(3-methylpyrrolidin-1-yl)ethanamine is CC1CCN(C(CN)c2cc(Br)c(Br)o2)C1.
What is the InChIKey of 2-(4,5-dibromofuran-2-yl)-2-(3-methylpyrrolidin-1-yl)ethanamine?
The InChIKey is WTGCVWRSDNQIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2O/c1-7-2-3-15(6-7)9(5-14)10-4-8(12)11(13)16-10/h4,7,9H,2-3,5-6,14H2,1H3.
What are the key properties of 2-(4,5-dibromofuran-2-yl)-2-(3-methylpyrrolidin-1-yl)ethanamine?
2-(4,5-dibromofuran-2-yl)-2-(3-methylpyrrolidin-1-yl)ethanamine has a molecular weight of 352.07 g/mol, XLogP of 3.15, 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-(3-methylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 62085064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).