(5-bromo-1-benzofuran-2-yl)methanamine

C9H8BrNO — CID 2795538

IUPAC(5-bromo-1-benzofuran-2-yl)methanamine
SMILESNCc1cc2cc(Br)ccc2o1
InChIInChI=1S/C9H8BrNO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H,5,11H2
InChIKeyUOODONZLFBRQNV-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.65
Rot. Bonds1

About (5-bromo-1-benzofuran-2-yl)methanamine

(5-bromo-1-benzofuran-2-yl)methanamine (PubChem CID 2795538) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is (5-bromo-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-1-benzofuran-2-yl)methanamine
PubChem CID2795538
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name(5-bromo-1-benzofuran-2-yl)methanamine
SMILESNCc1cc2cc(Br)ccc2o1
InChIInChI=1S/C9H8BrNO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H,5,11H2
InChIKeyUOODONZLFBRQNV-UHFFFAOYSA-N
XLogP2.65
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5-bromo-1-benzofuran-2-yl)methanamine (CID 2795538) is (5-bromo-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-bromo-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5-bromo-1-benzofuran-2-yl)methanamine is NCc1cc2cc(Br)ccc2o1.
What is the InChIKey of (5-bromo-1-benzofuran-2-yl)methanamine?
The InChIKey is UOODONZLFBRQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H,5,11H2.
What are the key properties of (5-bromo-1-benzofuran-2-yl)methanamine?
(5-bromo-1-benzofuran-2-yl)methanamine has a molecular weight of 226.07 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 2795538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).