RX7

2-methyl-2-{[(3-methylthiophen-2-yl)methyl]amino}propan-1-ol

Created:	2020-02-28
Last modified:	2020-10-28

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3 entries where RX7 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	5

2D diagram of RX7

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Chemical Component Summary
Name	2-methyl-2-{[(3-methylthiophen-2-yl)methyl]amino}propan-1-ol
Systematic Name (OpenEye OEToolkits)	2-methyl-2-[(3-methylthiophen-2-yl)methylamino]propan-1-ol
Formula	C₁₀ H₁₇ N O S
Molecular Weight	199.313
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(c(C)ccs1)CNC(C)(C)CO
SMILES	CACTVS	3.385	Cc1ccsc1CNC(C)(C)CO
SMILES	OpenEye OEToolkits	2.0.6	Cc1ccsc1CNC(C)(C)CO
Canonical SMILES	CACTVS	3.385	Cc1ccsc1CNC(C)(C)CO
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1ccsc1CNC(C)(C)CO
InChI	InChI	1.03	InChI=1S/C10H17NOS/c1-8-4-5-13-9(8)6-11-10(2,3)7-12/h4-5,11-12H,6-7H2,1-3H3
InChIKey	InChI	1.03	IFQLAGXBYFTXBB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	834041

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.