2-(4-bromofuran-2-yl)ethanamine

C6H8BrNO — CID 55254644

IUPAC2-(4-bromofuran-2-yl)ethanamine
SMILESNCCc1cc(Br)co1
InChIInChI=1S/C6H8BrNO/c7-5-3-6(1-2-8)9-4-5/h3-4H,1-2,8H2
InChIKeyGNZCSPTUXFHTDD-UHFFFAOYSA-N
MW190.04 g/mol
LogP1.54
Rot. Bonds2

About 2-(4-bromofuran-2-yl)ethanamine

2-(4-bromofuran-2-yl)ethanamine (PubChem CID 55254644) has the molecular formula C6H8BrNO and a molecular weight of 190.04 g/mol. Its IUPAC name is 2-(4-bromofuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromofuran-2-yl)ethanamine
PubChem CID55254644
Molecular FormulaC6H8BrNO
Molecular Weight190.04 g/mol
Exact Mass188.98
IUPAC Name2-(4-bromofuran-2-yl)ethanamine
SMILESNCCc1cc(Br)co1
InChIInChI=1S/C6H8BrNO/c7-5-3-6(1-2-8)9-4-5/h3-4H,1-2,8H2
InChIKeyGNZCSPTUXFHTDD-UHFFFAOYSA-N
XLogP1.54
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromofuran-2-yl)ethanamine?
The IUPAC name of 2-(4-bromofuran-2-yl)ethanamine (CID 55254644) is 2-(4-bromofuran-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromofuran-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromofuran-2-yl)ethanamine is NCCc1cc(Br)co1.
What is the InChIKey of 2-(4-bromofuran-2-yl)ethanamine?
The InChIKey is GNZCSPTUXFHTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO/c7-5-3-6(1-2-8)9-4-5/h3-4H,1-2,8H2.
What are the key properties of 2-(4-bromofuran-2-yl)ethanamine?
2-(4-bromofuran-2-yl)ethanamine has a molecular weight of 190.04 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromofuran-2-yl)ethanamine is sourced from PubChem (CID 55254644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).