JKG
Summary
| Name: | 4-({[(thiophen-2-yl)methyl]amino}methyl)phenol |
| Formula: | C12 H13 N O S |
| Formal charge: | 0 |
| Formula weight: | 219.303 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-({[(thiophen-2-yl)methyl]amino}methyl)phenol |
| OpenEye OEToolkits | 2.0.6 | 4-[(thiophen-2-ylmethylamino)methyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c(CNCc1cccs1)ccc(c2)O |
| InChI | InChI | 1.03 | InChI=1S/C12H13NOS/c14-11-5-3-10(4-6-11)8-13-9-12-2-1-7-15-12/h1-7,13-14H,8-9H2 |
| InChIKey | InChI | 1.03 | DIFCPBCZKFGYPB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(CNCc2sccc2)cc1 |
| SMILES | CACTVS | 3.385 | Oc1ccc(CNCc2sccc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(sc1)CNCc2ccc(cc2)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(sc1)CNCc2ccc(cc2)O |
