V8T
Summary
| Name: | (1R)-1-{4-[(propan-2-yl)oxy]phenyl}ethan-1-amine |
| Formula: | C11 H17 N O |
| Formal charge: | 0 |
| Formula weight: | 179.259 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R)-1-{4-[(propan-2-yl)oxy]phenyl}ethan-1-amine |
| OpenEye OEToolkits | 2.0.7 | (1~{R})-1-(4-propan-2-yloxyphenyl)ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(C)Oc1ccc(cc1)C(C)N |
| InChI | InChI | 1.06 | InChI=1S/C11H17NO/c1-8(2)13-11-6-4-10(5-7-11)9(3)12/h4-9H,12H2,1-3H3/t9-/m1/s1 |
| InChIKey | InChI | 1.06 | QDLPHPPYMUBDRB-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Oc1ccc(cc1)[C@@H](C)N |
| SMILES | CACTVS | 3.385 | CC(C)Oc1ccc(cc1)[CH](C)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](c1ccc(cc1)OC(C)C)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)Oc1ccc(cc1)C(C)N |
