A1IBI

(2~{S})-1-(2,6-dimethylphenoxy)propan-2-amine

Created:	2024-05-10
Last modified:	2024-07-03

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1 entries where A1IBI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	1
Bond Count	30
Aromatic Bond Count	6

2D diagram of A1IBI

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Chemical Component Summary
Name	(2~{S})-1-(2,6-dimethylphenoxy)propan-2-amine
Systematic Name (OpenEye OEToolkits)	(2~{S})-1-(2,6-dimethylphenoxy)propan-2-amine
Formula	C₁₁ H₁₇ N O
Molecular Weight	179.259
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[CH](N)COc1c(C)cccc1C
SMILES	OpenEye OEToolkits	2.0.7	Cc1cccc(c1OCC(C)N)C
Canonical SMILES	CACTVS	3.385	C[C@H](N)COc1c(C)cccc1C
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cccc(c1OC[C@H](C)N)C
InChI	InChI	1.06	InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3/t10-/m0/s1
InChIKey	InChI	1.06	VLPIATFUUWWMKC-JTQLQIEISA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL146855
PubChem	185376
ChEMBL	CHEMBL146855

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