1-(2-bromofuran-3-yl)-2-thiophen-3-ylethanamine

C₁₀H₁₀BrNOS — CID 106854638

About 1-(2-bromofuran-3-yl)-2-thiophen-3-ylethanamine

1-(2-bromofuran-3-yl)-2-thiophen-3-ylethanamine (PubChem CID 106854638) has the molecular formula C₁₀H₁₀BrNOS and a molecular weight of 272.17 g/mol. Its IUPAC name is 1-(2-bromofuran-3-yl)-2-thiophen-3-ylethanamine.

Molecular Properties

• Compound Name: 1-(2-bromofuran-3-yl)-2-thiophen-3-ylethanamine
• PubChem CID: 106854638
• Molecular Formula: C₁₀H₁₀BrNOS
• Molecular Weight: 272.17 g/mol
• Exact Mass: 270.97
• IUPAC Name: 1-(2-bromofuran-3-yl)-2-thiophen-3-ylethanamine
• SMILES: NC(Cc1ccsc1)c1ccoc1Br
• InChI: InChI=1S/C10H10BrNOS/c11-10-8(1-3-13-10)9(12)5-7-2-4-14-6-7/h1-4,6,9H,5,12H2
• InChIKey: VQENGTBTUOAQTF-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 39.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	272.17
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-yl)-2-thiophen-3-ylethanamine?

The IUPAC name of 1-(2-bromofuran-3-yl)-2-thiophen-3-ylethanamine (CID 106854638) is 1-(2-bromofuran-3-yl)-2-thiophen-3-ylethanamine.

What is the SMILES notation for 1-(2-bromofuran-3-yl)-2-thiophen-3-ylethanamine?

The canonical SMILES for 1-(2-bromofuran-3-yl)-2-thiophen-3-ylethanamine is NC(Cc1ccsc1)c1ccoc1Br.

What is the InChIKey of 1-(2-bromofuran-3-yl)-2-thiophen-3-ylethanamine?

The InChIKey is VQENGTBTUOAQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNOS/c11-10-8(1-3-13-10)9(12)5-7-2-4-14-6-7/h1-4,6,9H,5,12H2.

What are the key properties of 1-(2-bromofuran-3-yl)-2-thiophen-3-ylethanamine?

1-(2-bromofuran-3-yl)-2-thiophen-3-ylethanamine has a molecular weight of 272.17 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-bromofuran-3-yl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 106854638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 106854638 — identifiers, structure, computed properties (public domain)

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