(4,7-dibromo-5-methoxy-3-methyl-1-benzofuran-2-yl)methanamine

C11H11Br2NO2 — CID 81047451

IUPAC(4,7-dibromo-5-methoxy-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCOc1cc(Br)c2oc(CN)c(C)c2c1Br
InChIInChI=1S/C11H11Br2NO2/c1-5-8(4-14)16-11-6(12)3-7(15-2)10(13)9(5)11/h3H,4,14H2,1-2H3
InChIKeyFINRYWWHAZLKBD-UHFFFAOYSA-N
MW349.02 g/mol
LogP3.73
Rot. Bonds2

About (4,7-dibromo-5-methoxy-3-methyl-1-benzofuran-2-yl)methanamine

(4,7-dibromo-5-methoxy-3-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 81047451) has the molecular formula C11H11Br2NO2 and a molecular weight of 349.02 g/mol. Its IUPAC name is (4,7-dibromo-5-methoxy-3-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(4,7-dibromo-5-methoxy-3-methyl-1-benzofuran-2-yl)methanamine
PubChem CID81047451
Molecular FormulaC11H11Br2NO2
Molecular Weight349.02 g/mol
Exact Mass346.92
IUPAC Name(4,7-dibromo-5-methoxy-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCOc1cc(Br)c2oc(CN)c(C)c2c1Br
InChIInChI=1S/C11H11Br2NO2/c1-5-8(4-14)16-11-6(12)3-7(15-2)10(13)9(5)11/h3H,4,14H2,1-2H3
InChIKeyFINRYWWHAZLKBD-UHFFFAOYSA-N
XLogP3.73
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.02
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,7-dibromo-5-methoxy-3-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (4,7-dibromo-5-methoxy-3-methyl-1-benzofuran-2-yl)methanamine (CID 81047451) is (4,7-dibromo-5-methoxy-3-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (4,7-dibromo-5-methoxy-3-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (4,7-dibromo-5-methoxy-3-methyl-1-benzofuran-2-yl)methanamine is COc1cc(Br)c2oc(CN)c(C)c2c1Br.
What is the InChIKey of (4,7-dibromo-5-methoxy-3-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is FINRYWWHAZLKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NO2/c1-5-8(4-14)16-11-6(12)3-7(15-2)10(13)9(5)11/h3H,4,14H2,1-2H3.
What are the key properties of (4,7-dibromo-5-methoxy-3-methyl-1-benzofuran-2-yl)methanamine?
(4,7-dibromo-5-methoxy-3-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 349.02 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,7-dibromo-5-methoxy-3-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 81047451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).