W34
Summary
| Name: | (3R,4S)-4-(3-methoxyphenyl)oxan-3-amine |
| Formula: | C12 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 207.269 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R,4S)-4-(3-methoxyphenyl)oxan-3-amine |
| OpenEye OEToolkits | 2.0.7 | (3~{R},4~{S})-4-(3-methoxyphenyl)oxan-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(C(N)COCC1)c2cccc(c2)OC |
| InChI | InChI | 1.03 | InChI=1S/C12H17NO2/c1-14-10-4-2-3-9(7-10)11-5-6-15-8-12(11)13/h2-4,7,11-12H,5-6,8,13H2,1H3/t11-,12-/m0/s1 |
| InChIKey | InChI | 1.03 | RNGNQMRREZVUSH-RYUDHWBXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)[C@@H]2CCOC[C@@H]2N |
| SMILES | CACTVS | 3.385 | COc1cccc(c1)[CH]2CCOC[CH]2N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)[C@@H]2CCOC[C@@H]2N |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)C2CCOCC2N |
