2-amino-2-(5-bromo-2,4-dimethylfuran-3-yl)ethanol

C8H12BrNO2 — CID 83895873

IUPAC2-amino-2-(5-bromo-2,4-dimethylfuran-3-yl)ethanol
SMILESCc1oc(Br)c(C)c1C(N)CO
InChIInChI=1S/C8H12BrNO2/c1-4-7(6(10)3-11)5(2)12-8(4)9/h6,11H,3,10H2,1-2H3
InChIKeySWJXSVDRLMZCLD-UHFFFAOYSA-N
MW234.09 g/mol
LogP1.65
Rot. Bonds2

About 2-amino-2-(5-bromo-2,4-dimethylfuran-3-yl)ethanol

2-amino-2-(5-bromo-2,4-dimethylfuran-3-yl)ethanol (PubChem CID 83895873) has the molecular formula C8H12BrNO2 and a molecular weight of 234.09 g/mol. Its IUPAC name is 2-amino-2-(5-bromo-2,4-dimethylfuran-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(5-bromo-2,4-dimethylfuran-3-yl)ethanol
PubChem CID83895873
Molecular FormulaC8H12BrNO2
Molecular Weight234.09 g/mol
Exact Mass233.01
IUPAC Name2-amino-2-(5-bromo-2,4-dimethylfuran-3-yl)ethanol
SMILESCc1oc(Br)c(C)c1C(N)CO
InChIInChI=1S/C8H12BrNO2/c1-4-7(6(10)3-11)5(2)12-8(4)9/h6,11H,3,10H2,1-2H3
InChIKeySWJXSVDRLMZCLD-UHFFFAOYSA-N
XLogP1.65
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-bromo-2,4-dimethylfuran-3-yl)ethanol?
The IUPAC name of 2-amino-2-(5-bromo-2,4-dimethylfuran-3-yl)ethanol (CID 83895873) is 2-amino-2-(5-bromo-2,4-dimethylfuran-3-yl)ethanol.
What is the SMILES notation for 2-amino-2-(5-bromo-2,4-dimethylfuran-3-yl)ethanol?
The canonical SMILES for 2-amino-2-(5-bromo-2,4-dimethylfuran-3-yl)ethanol is Cc1oc(Br)c(C)c1C(N)CO.
What is the InChIKey of 2-amino-2-(5-bromo-2,4-dimethylfuran-3-yl)ethanol?
The InChIKey is SWJXSVDRLMZCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO2/c1-4-7(6(10)3-11)5(2)12-8(4)9/h6,11H,3,10H2,1-2H3.
What are the key properties of 2-amino-2-(5-bromo-2,4-dimethylfuran-3-yl)ethanol?
2-amino-2-(5-bromo-2,4-dimethylfuran-3-yl)ethanol has a molecular weight of 234.09 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-bromo-2,4-dimethylfuran-3-yl)ethanol is sourced from PubChem (CID 83895873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).