02N
Summary
| Name: | 1-(4-methylphenyl)methanamine |
| Formula: | C8 H11 N |
| Formal charge: | 0 |
| Formula weight: | 121.18 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(4-methylphenyl)methanamine |
| OpenEye OEToolkits | 1.7.2 | (4-methylphenyl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NCc1ccc(cc1)C |
| InChI | InChI | 1.03 | InChI=1S/C8H11N/c1-7-2-4-8(6-9)5-3-7/h2-5H,6,9H2,1H3 |
| InChIKey | InChI | 1.03 | HMTSWYPNXFHGEP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccc(CN)cc1 |
| SMILES | CACTVS | 3.370 | Cc1ccc(CN)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1ccc(cc1)CN |
| SMILES | OpenEye OEToolkits | 1.7.2 | Cc1ccc(cc1)CN |
