5-bromo-4-(oxan-3-yl)furan-3-amine

C9H12BrNO2 — CID 82384749

IUPAC5-bromo-4-(oxan-3-yl)furan-3-amine
SMILESNc1coc(Br)c1C1CCCOC1
InChIInChI=1S/C9H12BrNO2/c10-9-8(7(11)5-13-9)6-2-1-3-12-4-6/h5-6H,1-4,11H2
InChIKeyUAEJDPPQTQRSFC-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.52
Rot. Bonds1

About 5-bromo-4-(oxan-3-yl)furan-3-amine

5-bromo-4-(oxan-3-yl)furan-3-amine (PubChem CID 82384749) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is 5-bromo-4-(oxan-3-yl)furan-3-amine.

Molecular Properties

Compound Name5-bromo-4-(oxan-3-yl)furan-3-amine
PubChem CID82384749
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name5-bromo-4-(oxan-3-yl)furan-3-amine
SMILESNc1coc(Br)c1C1CCCOC1
InChIInChI=1S/C9H12BrNO2/c10-9-8(7(11)5-13-9)6-2-1-3-12-4-6/h5-6H,1-4,11H2
InChIKeyUAEJDPPQTQRSFC-UHFFFAOYSA-N
XLogP2.52
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(oxan-3-yl)furan-3-amine?
The IUPAC name of 5-bromo-4-(oxan-3-yl)furan-3-amine (CID 82384749) is 5-bromo-4-(oxan-3-yl)furan-3-amine.
What is the SMILES notation for 5-bromo-4-(oxan-3-yl)furan-3-amine?
The canonical SMILES for 5-bromo-4-(oxan-3-yl)furan-3-amine is Nc1coc(Br)c1C1CCCOC1.
What is the InChIKey of 5-bromo-4-(oxan-3-yl)furan-3-amine?
The InChIKey is UAEJDPPQTQRSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c10-9-8(7(11)5-13-9)6-2-1-3-12-4-6/h5-6H,1-4,11H2.
What are the key properties of 5-bromo-4-(oxan-3-yl)furan-3-amine?
5-bromo-4-(oxan-3-yl)furan-3-amine has a molecular weight of 246.10 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(oxan-3-yl)furan-3-amine is sourced from PubChem (CID 82384749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).