5-bromo-4-ethylfuran-2-amine

C6H8BrNO — CID 98774094

IUPAC5-bromo-4-ethylfuran-2-amine
SMILESCCc1cc(N)oc1Br
InChIInChI=1S/C6H8BrNO/c1-2-4-3-5(8)9-6(4)7/h3H,2,8H2,1H3
InChIKeyNRJCMBJPWZVPJM-UHFFFAOYSA-N
MW190.04 g/mol
LogP2.19
Rot. Bonds1

About 5-bromo-4-ethylfuran-2-amine

5-bromo-4-ethylfuran-2-amine (PubChem CID 98774094) has the molecular formula C6H8BrNO and a molecular weight of 190.04 g/mol. Its IUPAC name is 5-bromo-4-ethylfuran-2-amine.

Molecular Properties

Compound Name5-bromo-4-ethylfuran-2-amine
PubChem CID98774094
Molecular FormulaC6H8BrNO
Molecular Weight190.04 g/mol
Exact Mass188.98
IUPAC Name5-bromo-4-ethylfuran-2-amine
SMILESCCc1cc(N)oc1Br
InChIInChI=1S/C6H8BrNO/c1-2-4-3-5(8)9-6(4)7/h3H,2,8H2,1H3
InChIKeyNRJCMBJPWZVPJM-UHFFFAOYSA-N
XLogP2.19
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-ethylfuran-2-amine?
The IUPAC name of 5-bromo-4-ethylfuran-2-amine (CID 98774094) is 5-bromo-4-ethylfuran-2-amine.
What is the SMILES notation for 5-bromo-4-ethylfuran-2-amine?
The canonical SMILES for 5-bromo-4-ethylfuran-2-amine is CCc1cc(N)oc1Br.
What is the InChIKey of 5-bromo-4-ethylfuran-2-amine?
The InChIKey is NRJCMBJPWZVPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO/c1-2-4-3-5(8)9-6(4)7/h3H,2,8H2,1H3.
What are the key properties of 5-bromo-4-ethylfuran-2-amine?
5-bromo-4-ethylfuran-2-amine has a molecular weight of 190.04 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-ethylfuran-2-amine is sourced from PubChem (CID 98774094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).