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

C9H8INO — CID 86775734

IUPAC(5-iodo-1-benzofuran-2-yl)methanamine
SMILESNCc1cc2cc(I)ccc2o1
InChIInChI=1S/C9H8INO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H,5,11H2
InChIKeyCXLKXZHQXMNPKA-UHFFFAOYSA-N
MW273.07 g/mol
LogP2.50
Rot. Bonds1

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

(5-iodo-1-benzofuran-2-yl)methanamine (PubChem CID 86775734) has the molecular formula C9H8INO and a molecular weight of 273.07 g/mol. Its IUPAC name is (5-iodo-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-iodo-1-benzofuran-2-yl)methanamine
PubChem CID86775734
Molecular FormulaC9H8INO
Molecular Weight273.07 g/mol
Exact Mass272.97
IUPAC Name(5-iodo-1-benzofuran-2-yl)methanamine
SMILESNCc1cc2cc(I)ccc2o1
InChIInChI=1S/C9H8INO/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-4H,5,11H2
InChIKeyCXLKXZHQXMNPKA-UHFFFAOYSA-N
XLogP2.50
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.07
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-iodo-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5-iodo-1-benzofuran-2-yl)methanamine (CID 86775734) is (5-iodo-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-iodo-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5-iodo-1-benzofuran-2-yl)methanamine is NCc1cc2cc(I)ccc2o1.
What is the InChIKey of (5-iodo-1-benzofuran-2-yl)methanamine?
The InChIKey is CXLKXZHQXMNPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8INO/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-iodo-1-benzofuran-2-yl)methanamine?
(5-iodo-1-benzofuran-2-yl)methanamine has a molecular weight of 273.07 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodo-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 86775734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).