1-(5,7-dibromo-1-benzofuran-2-yl)-N-methylethanamine

C11H11Br2NO — CID 65440371

IUPAC1-(5,7-dibromo-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(C)c1cc2cc(Br)cc(Br)c2o1
InChIInChI=1S/C11H11Br2NO/c1-6(14-2)10-4-7-3-8(12)5-9(13)11(7)15-10/h3-6,14H,1-2H3
InChIKeyDPOZJBCGBPXWBN-UHFFFAOYSA-N
MW333.02 g/mol
LogP4.24
Rot. Bonds2

About 1-(5,7-dibromo-1-benzofuran-2-yl)-N-methylethanamine

1-(5,7-dibromo-1-benzofuran-2-yl)-N-methylethanamine (PubChem CID 65440371) has the molecular formula C11H11Br2NO and a molecular weight of 333.02 g/mol. Its IUPAC name is 1-(5,7-dibromo-1-benzofuran-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5,7-dibromo-1-benzofuran-2-yl)-N-methylethanamine
PubChem CID65440371
Molecular FormulaC11H11Br2NO
Molecular Weight333.02 g/mol
Exact Mass330.92
IUPAC Name1-(5,7-dibromo-1-benzofuran-2-yl)-N-methylethanamine
SMILESCNC(C)c1cc2cc(Br)cc(Br)c2o1
InChIInChI=1S/C11H11Br2NO/c1-6(14-2)10-4-7-3-8(12)5-9(13)11(7)15-10/h3-6,14H,1-2H3
InChIKeyDPOZJBCGBPXWBN-UHFFFAOYSA-N
XLogP4.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.02
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 65439587
1-(5,7-dibromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-amine
CID 65439503
1-(5,7-dibromo-1-benzofuran-2-yl)propan-1-ol
CID 15350188
1-(5,7-dibromo-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 65440043
1-(7-chloro-5-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 65440366
N-[1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 65438613
1-(7-methoxy-5-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 65440138
1-(5-bromo-7-fluoro-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine
CID 65440627
1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine
CID 65440531
1-(7-fluoro-6-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 107662182
1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethanamine
CID 65438612
1-(7-bromo-5-fluoro-1-benzofuran-2-yl)ethanamine
CID 65440930

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dibromo-1-benzofuran-2-yl)-N-methylethanamine?
The IUPAC name of 1-(5,7-dibromo-1-benzofuran-2-yl)-N-methylethanamine (CID 65440371) is 1-(5,7-dibromo-1-benzofuran-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(5,7-dibromo-1-benzofuran-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(5,7-dibromo-1-benzofuran-2-yl)-N-methylethanamine is CNC(C)c1cc2cc(Br)cc(Br)c2o1.
What is the InChIKey of 1-(5,7-dibromo-1-benzofuran-2-yl)-N-methylethanamine?
The InChIKey is DPOZJBCGBPXWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NO/c1-6(14-2)10-4-7-3-8(12)5-9(13)11(7)15-10/h3-6,14H,1-2H3.
What are the key properties of 1-(5,7-dibromo-1-benzofuran-2-yl)-N-methylethanamine?
1-(5,7-dibromo-1-benzofuran-2-yl)-N-methylethanamine has a molecular weight of 333.02 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dibromo-1-benzofuran-2-yl)-N-methylethanamine is sourced from PubChem (CID 65440371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).