RX7
Summary
Name: | 2-methyl-2-{[(3-methylthiophen-2-yl)methyl]amino}propan-1-ol |
Formula: | C10 H17 N O S |
Formal charge: | 0 |
Formula weight: | 199.313 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 2-methyl-2-{[(3-methylthiophen-2-yl)methyl]amino}propan-1-ol |
OpenEye OEToolkits | 2.0.6 | 2-methyl-2-[(3-methylthiophen-2-yl)methylamino]propan-1-ol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(c(C)ccs1)CNC(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 |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccsc1CNC(C)(C)CO |
SMILES | CACTVS | 3.385 | Cc1ccsc1CNC(C)(C)CO |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccsc1CNC(C)(C)CO |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccsc1CNC(C)(C)CO |