N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine

C₁₂H₁₆BrNO — CID 130636961

About N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine

N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 130636961) has the molecular formula C₁₂H₁₆BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

• Compound Name: N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine
• PubChem CID: 130636961
• Molecular Formula: C₁₂H₁₆BrNO
• Molecular Weight: 270.17 g/mol
• Exact Mass: 269.04
• IUPAC Name: N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine
• SMILES: Brc1cc(CNC2CC3CCC2C3)co1
• InChI: InChI=1S/C12H16BrNO/c13-12-5-9(7-15-12)6-14-11-4-8-1-2-10(11)3-8/h5,7-8,10-11,14H,1-4,6H2
• InChIKey: QUAJQMBFLSWXJZ-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 25.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	270.17
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine?

The IUPAC name of N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine (CID 130636961) is N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine.

What is the SMILES notation for N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine?

The canonical SMILES for N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine is Brc1cc(CNC2CC3CCC2C3)co1.

What is the InChIKey of N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine?

The InChIKey is QUAJQMBFLSWXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-12-5-9(7-15-12)6-14-11-4-8-1-2-10(11)3-8/h5,7-8,10-11,14H,1-4,6H2.

What are the key properties of N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine?

N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 270.17 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 130636961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130636961 — identifiers, structure, computed properties (public domain)

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