A1CFE

(S)-1-(4-methoxyphenyl)-1-(1-methyl-1H-imidazol-2-yl)methanamine

Created:	2025-06-09
Last modified:	2025-11-05

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1 entries where A1CFE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	1
Bond Count	32
Aromatic Bond Count	11

2D diagram of A1CFE

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Chemical Component Summary
Name	(S)-1-(4-methoxyphenyl)-1-(1-methyl-1H-imidazol-2-yl)methanamine
Systematic Name (OpenEye OEToolkits)	(~{S})-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methanamine
Formula	C₁₂ H₁₅ N₃ O
Molecular Weight	217.267
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	NC(c1ccc(OC)cc1)c1nccn1C
SMILES	CACTVS	3.385	COc1ccc(cc1)[CH](N)c2nccn2C
SMILES	OpenEye OEToolkits	3.1.0.0	Cn1ccnc1C(c2ccc(cc2)OC)N
Canonical SMILES	CACTVS	3.385	COc1ccc(cc1)[C@H](N)c2nccn2C
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	Cn1ccnc1[C@H](c2ccc(cc2)OC)N
InChI	InChI	1.06	InChI=1S/C12H15N3O/c1-15-8-7-14-12(15)11(13)9-3-5-10(16-2)6-4-9/h3-8,11H,13H2,1-2H3/t11-/m0/s1
InChIKey	InChI	1.06	NGFVORJRIAJDAY-NSHDSACASA-N

Related Resource References

Resource Name	Reference
PubChem	9115282

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.