[5-(2,4,6-tribromophenyl)furan-2-yl]methanamine

C11H8Br3NO — CID 43155894

IUPAC[5-(2,4,6-tribromophenyl)furan-2-yl]methanamine
SMILESNCc1ccc(-c2c(Br)cc(Br)cc2Br)o1
InChIInChI=1S/C11H8Br3NO/c12-6-3-8(13)11(9(14)4-6)10-2-1-7(5-15)16-10/h1-4H,5,15H2
InChIKeyRBYWKUPTEVJDMK-UHFFFAOYSA-N
MW409.90 g/mol
LogP4.69
Rot. Bonds2

About [5-(2,4,6-tribromophenyl)furan-2-yl]methanamine

[5-(2,4,6-tribromophenyl)furan-2-yl]methanamine (PubChem CID 43155894) has the molecular formula C11H8Br3NO and a molecular weight of 409.90 g/mol. Its IUPAC name is [5-(2,4,6-tribromophenyl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2,4,6-tribromophenyl)furan-2-yl]methanamine
PubChem CID43155894
Molecular FormulaC11H8Br3NO
Molecular Weight409.90 g/mol
Exact Mass406.82
IUPAC Name[5-(2,4,6-tribromophenyl)furan-2-yl]methanamine
SMILESNCc1ccc(-c2c(Br)cc(Br)cc2Br)o1
InChIInChI=1S/C11H8Br3NO/c12-6-3-8(13)11(9(14)4-6)10-2-1-7(5-15)16-10/h1-4H,5,15H2
InChIKeyRBYWKUPTEVJDMK-UHFFFAOYSA-N
XLogP4.69
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(2,4,6-tribromophenyl)furan-2-yl]methanamine?
The IUPAC name of [5-(2,4,6-tribromophenyl)furan-2-yl]methanamine (CID 43155894) is [5-(2,4,6-tribromophenyl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(2,4,6-tribromophenyl)furan-2-yl]methanamine?
The canonical SMILES for [5-(2,4,6-tribromophenyl)furan-2-yl]methanamine is NCc1ccc(-c2c(Br)cc(Br)cc2Br)o1.
What is the InChIKey of [5-(2,4,6-tribromophenyl)furan-2-yl]methanamine?
The InChIKey is RBYWKUPTEVJDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br3NO/c12-6-3-8(13)11(9(14)4-6)10-2-1-7(5-15)16-10/h1-4H,5,15H2.
What are the key properties of [5-(2,4,6-tribromophenyl)furan-2-yl]methanamine?
[5-(2,4,6-tribromophenyl)furan-2-yl]methanamine has a molecular weight of 409.90 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4,6-tribromophenyl)furan-2-yl]methanamine is sourced from PubChem (CID 43155894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).