PDB CCD ID: | VH9 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C11 H16 F N O |
InChI: | InChI=1S/C11H16FNO/c1-8(2)13-7-11(14)9-3-5-10(12)6-4-9/h3-6,8,11,13-14H,7H2,1-2H3/t11-/m0/s1 |
InChIKey: | ICFWAKHBPUVWHZ-NSHDSACASA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 2.0.7 | CC(C)NCC(c1ccc(cc1)F)O | OpenEye OEToolkits 2.0.7 | CC(C)NC[C@@H](c1ccc(cc1)F)O | CACTVS 3.385 | CC(C)NC[C@H](O)c1ccc(F)cc1 | ACDLabs 12.01 | OC(CNC(C)C)c1ccc(F)cc1 | CACTVS 3.385 | CC(C)NC[CH](O)c1ccc(F)cc1 |
|
Name: | (1R)-1-(4-fluorophenyl)-2-[(propan-2-yl)amino]ethan-1-ol |
ZINC: | ZINC000012359726 |