K82
Summary
| Name: | 1-(3-chloro-4-propoxyphenyl)methanamine |
| Formula: | C10 H14 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 199.677 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(3-chloro-4-propoxyphenyl)methanamine |
| OpenEye OEToolkits | 1.9.2 | (3-chloranyl-4-propoxy-phenyl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(CN)ccc1OCCC |
| InChI | InChI | 1.03 | InChI=1S/C10H14ClNO/c1-2-5-13-10-4-3-8(7-12)6-9(10)11/h3-4,6H,2,5,7,12H2,1H3 |
| InChIKey | InChI | 1.03 | BVPLWEHIQIGKSU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCOc1ccc(CN)cc1Cl |
| SMILES | CACTVS | 3.385 | CCCOc1ccc(CN)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCOc1ccc(cc1Cl)CN |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCOc1ccc(cc1Cl)CN |
