5-bromo-N-methylfuran-2-amine

C5H6BrNO — CID 160936261

IUPAC5-bromo-N-methylfuran-2-amine
SMILESCNc1ccc(Br)o1
InChIInChI=1S/C5H6BrNO/c1-7-5-3-2-4(6)8-5/h2-3,7H,1H3
InChIKeySTXJSIROBJUIOW-UHFFFAOYSA-N
MW176.01 g/mol
LogP2.08
Rot. Bonds1

About 5-bromo-N-methylfuran-2-amine

5-bromo-N-methylfuran-2-amine (PubChem CID 160936261) has the molecular formula C5H6BrNO and a molecular weight of 176.01 g/mol. Its IUPAC name is 5-bromo-N-methylfuran-2-amine.

Molecular Properties

Compound Name5-bromo-N-methylfuran-2-amine
PubChem CID160936261
Molecular FormulaC5H6BrNO
Molecular Weight176.01 g/mol
Exact Mass174.96
IUPAC Name5-bromo-N-methylfuran-2-amine
SMILESCNc1ccc(Br)o1
InChIInChI=1S/C5H6BrNO/c1-7-5-3-2-4(6)8-5/h2-3,7H,1H3
InChIKeySTXJSIROBJUIOW-UHFFFAOYSA-N
XLogP2.08
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.01
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methylfuran-2-amine?
The IUPAC name of 5-bromo-N-methylfuran-2-amine (CID 160936261) is 5-bromo-N-methylfuran-2-amine.
What is the SMILES notation for 5-bromo-N-methylfuran-2-amine?
The canonical SMILES for 5-bromo-N-methylfuran-2-amine is CNc1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-methylfuran-2-amine?
The InChIKey is STXJSIROBJUIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNO/c1-7-5-3-2-4(6)8-5/h2-3,7H,1H3.
What are the key properties of 5-bromo-N-methylfuran-2-amine?
5-bromo-N-methylfuran-2-amine has a molecular weight of 176.01 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methylfuran-2-amine is sourced from PubChem (CID 160936261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).