9X3
Summary
| Name: | N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine |
| Formula: | C13 H20 N2 O |
| Formal charge: | 0 |
| Formula weight: | 220.311 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine |
| OpenEye OEToolkits | 1.7.6 | N-methyl-1-[3-(morpholin-4-ylmethyl)phenyl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O2CCN(Cc1cc(ccc1)CNC)CC2 |
| InChI | InChI | 1.03 | InChI=1S/C13H20N2O/c1-14-10-12-3-2-4-13(9-12)11-15-5-7-16-8-6-15/h2-4,9,14H,5-8,10-11H2,1H3 |
| InChIKey | InChI | 1.03 | JZMYRFZAMCXUIF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1cccc(CN2CCOCC2)c1 |
| SMILES | CACTVS | 3.385 | CNCc1cccc(CN2CCOCC2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CNCc1cccc(c1)CN2CCOCC2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNCc1cccc(c1)CN2CCOCC2 |
