6-(5-bromo-1-benzofuran-2-yl)-2-ethyl-2-methylmorpholine

C15H18BrNO2 — CID 65101932

IUPAC6-(5-bromo-1-benzofuran-2-yl)-2-ethyl-2-methylmorpholine
SMILESCCC1(C)CNCC(c2cc3cc(Br)ccc3o2)O1
InChIInChI=1S/C15H18BrNO2/c1-3-15(2)9-17-8-14(19-15)13-7-10-6-11(16)4-5-12(10)18-13/h4-7,14,17H,3,8-9H2,1-2H3
InChIKeyYJWJPVFHJVSQNC-UHFFFAOYSA-N
MW324.22 g/mol
LogP4.02
Rot. Bonds2

About 6-(5-bromo-1-benzofuran-2-yl)-2-ethyl-2-methylmorpholine

6-(5-bromo-1-benzofuran-2-yl)-2-ethyl-2-methylmorpholine (PubChem CID 65101932) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is 6-(5-bromo-1-benzofuran-2-yl)-2-ethyl-2-methylmorpholine.

Molecular Properties

Compound Name6-(5-bromo-1-benzofuran-2-yl)-2-ethyl-2-methylmorpholine
PubChem CID65101932
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC Name6-(5-bromo-1-benzofuran-2-yl)-2-ethyl-2-methylmorpholine
SMILESCCC1(C)CNCC(c2cc3cc(Br)ccc3o2)O1
InChIInChI=1S/C15H18BrNO2/c1-3-15(2)9-17-8-14(19-15)13-7-10-6-11(16)4-5-12(10)18-13/h4-7,14,17H,3,8-9H2,1-2H3
InChIKeyYJWJPVFHJVSQNC-UHFFFAOYSA-N
XLogP4.02
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-1-benzofuran-2-yl)-2-ethyl-2-methylmorpholine?
The IUPAC name of 6-(5-bromo-1-benzofuran-2-yl)-2-ethyl-2-methylmorpholine (CID 65101932) is 6-(5-bromo-1-benzofuran-2-yl)-2-ethyl-2-methylmorpholine.
What is the SMILES notation for 6-(5-bromo-1-benzofuran-2-yl)-2-ethyl-2-methylmorpholine?
The canonical SMILES for 6-(5-bromo-1-benzofuran-2-yl)-2-ethyl-2-methylmorpholine is CCC1(C)CNCC(c2cc3cc(Br)ccc3o2)O1.
What is the InChIKey of 6-(5-bromo-1-benzofuran-2-yl)-2-ethyl-2-methylmorpholine?
The InChIKey is YJWJPVFHJVSQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-3-15(2)9-17-8-14(19-15)13-7-10-6-11(16)4-5-12(10)18-13/h4-7,14,17H,3,8-9H2,1-2H3.
What are the key properties of 6-(5-bromo-1-benzofuran-2-yl)-2-ethyl-2-methylmorpholine?
6-(5-bromo-1-benzofuran-2-yl)-2-ethyl-2-methylmorpholine has a molecular weight of 324.22 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-1-benzofuran-2-yl)-2-ethyl-2-methylmorpholine is sourced from PubChem (CID 65101932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).