C115H162ClF7N8O4 — CID 158798156
1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;1-(5-tert-butyl-2-fluorophenyl)piperazine (PubChem CID 158798156) has the molecular formula C115H162ClF7N8O4 and a molecular weight of 1891.06 g/mol. Its IUPAC name is 1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;1-(5-tert-butyl-2-fluorophenyl)piperazine.
| Compound Name | 1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;1-(5-tert-butyl-2-fluorophenyl)piperazine |
|---|---|
| PubChem CID | 158798156 |
| Molecular Formula | C115H162ClF7N8O4 |
| Molecular Weight | 1891.06 g/mol |
| Exact Mass | 1889.24 |
| IUPAC Name | 1-tert-butyl-3-chloro-5-(cyclopropylmethoxy)benzene;4-tert-butyl-2-[cyclopropyl(dideuterio)methoxy]-1-fluorobenzene;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoroaniline;5-tert-butyl-N-(cyclopropylmethyl)-2-fluoro-N-methylaniline;N-(5-tert-butyl-2-fluorophenyl)cyclopropanecarboxamide;N-(5-tert-butyl-2-fluorophenyl)-N-methylcyclopropanecarboxamide;1-(5-tert-butyl-2-fluorophenyl)-4-methylpiperazine;1-(5-tert-butyl-2-fluorophenyl)piperazine |
| SMILES | CC(C)(C)c1cc(Cl)cc(OCC2CC2)c1.CC(C)(C)c1ccc(F)c(N2CCNCC2)c1.CC(C)(C)c1ccc(F)c(NC(=O)C2CC2)c1.CC(C)(C)c1ccc(F)c(NCC2CC2)c1.CN(C(=O)C1CC1)c1cc(C(C)(C)C)ccc1F.CN(CC1CC1)c1cc(C(C)(C)C)ccc1F.CN1CCN(c2cc(C(C)(C)C)ccc2F)CC1.[2H]C([2H])(Oc1cc(C(C)(C)C)ccc1F)C1CC1 |
| InChI | InChI=1S/C15H23FN2.C15H20FNO.C15H22FN.C14H19ClO.C14H21FN2.C14H18FNO.C14H20FN.C14H19FO/c1-15(2,3)12-5-6-13(16)14(11-12)18-9-7-17(4)8-10-18;1-15(2,3)11-7-8-12(16)13(9-11)17(4)14(18)10-5-6-10;1-15(2,3)12-7-8-13(16)14(9-12)17(4)10-11-5-6-11;1-14(2,3)11-6-12(15)8-13(7-11)16-9-10-4-5-10;1-14(2,3)11-4-5-12(15)13(10-11)17-8-6-16-7-9-17;1-14(2,3)10-6-7-11(15)12(8-10)16-13(17)9-4-5-9;2*1-14(2,3)11-6-7-12(15)13(8-11)16-9-10-4-5-10/h5-6,11H,7-10H2,1-4H3;7-10H,5-6H2,1-4H3;7-9,11H,5-6,10H2,1-4H3;6-8,10H,4-5,9H2,1-3H3;4-5,10,16H,6-9H2,1-3H3;6-9H,4-5H2,1-3H3,(H,16,17);6-8,10,16H,4-5,9H2,1-3H3;6-8,10H,4-5,9H2,1-3H3/i;;;;;;;9D2 |
| InChIKey | ITCYBOFNNKJFJX-SLCMUNLQSA-N |
| XLogP | 28.63 |
| TPSA | 104.89 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 135 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1891.06 |
| LogP ≤ 5 | 28.63 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 10 |