A1CGS

2-(4-chloro-3-methylphenoxy)-N-ethylethan-1-amine

Created:	2025-06-13
Last modified:	2025-11-05

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1 entries where A1CGS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	6

2D diagram of A1CGS

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Chemical Component Summary
Name	2-(4-chloro-3-methylphenoxy)-N-ethylethan-1-amine
Systematic Name (OpenEye OEToolkits)	2-(4-chloranyl-3-methyl-phenoxy)-~{N}-ethyl-ethanamine
Formula	C₁₁ H₁₆ Cl N O
Molecular Weight	213.704
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Cc1cc(OCCNCC)ccc1Cl
SMILES	CACTVS	3.385	CCNCCOc1ccc(Cl)c(C)c1
SMILES	OpenEye OEToolkits	3.1.0.0	CCNCCOc1ccc(c(c1)C)Cl
Canonical SMILES	CACTVS	3.385	CCNCCOc1ccc(Cl)c(C)c1
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CCNCCOc1ccc(c(c1)C)Cl
InChI	InChI	1.06	InChI=1S/C11H16ClNO/c1-3-13-6-7-14-10-4-5-11(12)9(2)8-10/h4-5,8,13H,3,6-7H2,1-2H3
InChIKey	InChI	1.06	JETZEQAXQGLWPD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	6458946

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