A1EHQ

2-phenoxyethanamine

Created:	2024-12-11
Last modified:	2025-08-27

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1 entries where A1EHQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	6

2D diagram of A1EHQ

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Chemical Component Summary
Name	2-phenoxyethanamine
Systematic Name (OpenEye OEToolkits)	2-phenoxyethanamine
Formula	C₈ H₁₁ N O
Molecular Weight	137.179
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NCCOc1ccccc1
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)OCCN
Canonical SMILES	CACTVS	3.385	NCCOc1ccccc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)OCCN
InChI	InChI	1.06	InChI=1S/C8H11NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChIKey	InChI	1.06	IMLAIXAZMVDRGA-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.