A1ED5

1,3-dihydro-2-benzofuran-5-amine

Created:	2024-10-18
Last modified:	2025-08-27

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1 entries where A1ED5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

2D diagram of A1ED5

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Chemical Component Summary
Name	1,3-dihydro-2-benzofuran-5-amine
Synonyms	1,3-Dihydroisobenzofuran-5-amine
Systematic Name (OpenEye OEToolkits)	1,3-dihydro-2-benzofuran-5-amine
Formula	C₈ H₉ N O
Molecular Weight	135.163
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1ccc2COCc2c1
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1N)COC2
Canonical SMILES	CACTVS	3.385	Nc1ccc2COCc2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1N)COC2
InChI	InChI	1.06	InChI=1S/C8H9NO/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3H,4-5,9H2
InChIKey	InChI	1.06	GKULNTLNUHOMGD-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.