VWH
Summary
| Name: | 2-[(cyclopentylamino)methyl]-6-methoxyphenol |
| Formula: | C13 H19 N O2 |
| Formal charge: | 0 |
| Formula weight: | 221.295 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(cyclopentylamino)methyl]-6-methoxyphenol |
| OpenEye OEToolkits | 2.0.7 | 2-[(cyclopentylamino)methyl]-6-methoxy-phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1cccc(CNC2CCCC2)c1O |
| InChI | InChI | 1.06 | InChI=1S/C13H19NO2/c1-16-12-8-4-5-10(13(12)15)9-14-11-6-2-3-7-11/h4-5,8,11,14-15H,2-3,6-7,9H2,1H3 |
| InChIKey | InChI | 1.06 | UXZVPHLFAODMJP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(CNC2CCCC2)c1O |
| SMILES | CACTVS | 3.385 | COc1cccc(CNC2CCCC2)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1O)CNC2CCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1O)CNC2CCCC2 |
