C143H169Cl2F34N15O2 — CID 167634145
1-chloro-2,4-dimethylbenzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;1-ethyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-fluoro-3-methyl-5-(trifluoromethyl)benzene;methane;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;2-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;5-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]piperazine;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[4-methyl-2-(trifluoromethyl)phenyl]piperidine (PubChem CID 167634145) has the molecular formula C143H169Cl2F34N15O2 and a molecular weight of 2846.87 g/mol. Its IUPAC name is 1-chloro-2,4-dimethylbenzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;1-ethyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-fluoro-3-methyl-5-(trifluoromethyl)benzene;methane;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;2-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;5-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]piperazine;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[4-methyl-2-(trifluoromethyl)phenyl]piperidine.
| Compound Name | 1-chloro-2,4-dimethylbenzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;1-ethyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-fluoro-3-methyl-5-(trifluoromethyl)benzene;methane;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;2-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;5-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]piperazine;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[4-methyl-2-(trifluoromethyl)phenyl]piperidine |
|---|---|
| PubChem CID | 167634145 |
| Molecular Formula | C143H169Cl2F34N15O2 |
| Molecular Weight | 2846.87 g/mol |
| Exact Mass | 2844.24 |
| IUPAC Name | 1-chloro-2,4-dimethylbenzene;1-chloro-4-methyl-2-(trifluoromethyl)benzene;1-ethyl-4-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]piperazine;1-fluoro-3-methyl-5-(trifluoromethyl)benzene;methane;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;2-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;4-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;5-methyl-1-[3-methyl-5-(trifluoromethyl)phenyl]imidazole;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenyl]piperazine;4-[3-methyl-5-(trifluoromethyl)phenyl]morpholine;1-[4-methyl-2-(trifluoromethyl)phenyl]piperidine |
| SMILES | C.C.C.CCN1CCN(Cc2cc(C)cc(C(F)(F)F)c2)CC1.Cc1cc(-n2ccnc2C)cc(C(F)(F)F)c1.Cc1cc(-n2cnc(C)c2)cc(C(F)(F)F)c1.Cc1cc(-n2cncc2C)cc(C(F)(F)F)c1.Cc1cc(F)cc(C(F)(F)F)c1.Cc1cc(N2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1cc(N2CCOCC2)cc(C(F)(F)F)c1.Cc1cc(OC2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1ccc(Cl)c(C(F)(F)F)c1.Cc1ccc(Cl)c(C)c1.Cc1ccc(N2CCCCC2)c(C(F)(F)F)c1.Cc1ccc(N2CCN(C)CC2)c(C(F)(F)F)c1 |
| InChI | InChI=1S/C15H21F3N2.C14H18F3NO.2C13H17F3N2.C13H16F3N.3C12H11F3N2.C12H14F3NO.C8H6ClF3.C8H9Cl.C8H6F4.3CH4/c1-3-19-4-6-20(7-5-19)11-13-8-12(2)9-14(10-13)15(16,17)18;1-10-7-11(14(15,16)17)9-13(8-10)19-12-3-5-18(2)6-4-12;1-10-7-11(13(14,15)16)9-12(8-10)18-5-3-17(2)4-6-18;1-10-3-4-12(11(9-10)13(14,15)16)18-7-5-17(2)6-8-18;1-10-5-6-12(11(9-10)13(14,15)16)17-7-3-2-4-8-17;1-8-3-10(12(13,14)15)5-11(4-8)17-6-9(2)16-7-17;1-8-3-10(12(13,14)15)5-11(4-8)17-7-16-6-9(17)2;1-8-5-10(12(13,14)15)7-11(6-8)17-4-3-16-9(17)2;1-9-6-10(12(13,14)15)8-11(7-9)16-2-4-17-5-3-16;1-5-2-3-7(9)6(4-5)8(10,11)12;1-6-3-4-8(9)7(2)5-6;1-5-2-6(8(10,11)12)4-7(9)3-5;;;/h8-10H,3-7,11H2,1-2H3;7-9,12H,3-6H2,1-2H3;7-9H,3-6H2,1-2H3;3-4,9H,5-8H2,1-2H3;5-6,9H,2-4,7-8H2,1H3;3*3-7H,1-2H3;6-8H,2-5H2,1H3;2-4H,1H3;3-5H,1-2H3;2-4H,1H3;3*1H4 |
| InChIKey | OFNQOPTWXDUXKF-UHFFFAOYSA-N |
| XLogP | 41.23 |
| TPSA | 101.08 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 196 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2846.87 |
| LogP ≤ 5 | 41.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |