VU2
Summary
| Name: | (2S)-2-[(4-CHLOROBENZYL)OXY]-2-PHENYLETHANAMINE |
| Formula: | C15 H16 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 261.747 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-[(4-chlorobenzyl)oxy]-2-phenylethanamine |
| OpenEye OEToolkits | 1.6.1 | (2S)-2-[(4-chlorophenyl)methoxy]-2-phenyl-ethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1ccc(cc1)COC(c2ccccc2)CN |
| SMILES_CANONICAL | CACTVS | 3.352 | NC[C@@H](OCc1ccc(Cl)cc1)c2ccccc2 |
| SMILES | CACTVS | 3.352 | NC[CH](OCc1ccc(Cl)cc1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)[C@@H](CN)OCc2ccc(cc2)Cl |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1ccc(cc1)C(CN)OCc2ccc(cc2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C15H16ClNO/c16-14-8-6-12(7-9-14)11-18-15(10-17)13-4-2-1-3-5-13/h1-9,15H,10-11,17H2/t15-/m1/s1 |
| InChIKey | InChI | 1.03 | KFVPLCBTGAXYHI-OAHLLOKOSA-N |
