B0J
Summary
| Name: | 4-[[[(4~{S})-2,2-dimethyloxan-4-yl]amino]methyl]phenol |
| Formula: | C14 H21 N O2 |
| Formal charge: | 0 |
| Formula weight: | 235.322 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-[[[(4~{S})-2,2-dimethyloxan-4-yl]amino]methyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H21NO2/c1-14(2)9-12(7-8-17-14)15-10-11-3-5-13(16)6-4-11/h3-6,12,15-16H,7-10H2,1-2H3/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | PVWMKLSLRANGDD-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)C[C@H](CCO1)NCc2ccc(O)cc2 |
| SMILES | CACTVS | 3.385 | CC1(C)C[CH](CCO1)NCc2ccc(O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1(C[C@H](CCO1)NCc2ccc(cc2)O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1(CC(CCO1)NCc2ccc(cc2)O)C |
