A1H7R
Summary
| Name: | (2S)-1-(4-bromophenyl)propan-2-amine |
| Synonyms: | N,N'-(9-{[4-(dimethylamino)phenyl]amino}acridine-3,6-diyl)bis(3-pyrrolidin-1-ylpropanamide) |
| Formula: | C9 H12 Br N |
| Formal charge: | 0 |
| Formula weight: | 214.102 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-1-(4-bromophenyl)propan-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H12BrN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3 |
| InChIKey | InChI | 1.06 | SMNXUMMCCOZPPN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N)Cc1ccc(Br)cc1 |
| SMILES | CACTVS | 3.385 | C[CH](N)Cc1ccc(Br)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](Cc1ccc(cc1)Br)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(Cc1ccc(cc1)Br)N |
