C199H284Br4Cl10F2N14 — CID 161037860
2-(2-bromo-6-chlorophenyl)-1-tert-butylpyrrolidine;2-(2-bromophenyl)-1-tert-butylpyrrolidine;(2R)-2-(2-bromophenyl)-1-tert-butylpyrrolidine;(2S)-2-(2-bromophenyl)-1-tert-butylpyrrolidine;1-tert-butyl-2-(2-chloro-6-fluorophenyl)pyrrolidine;1-tert-butyl-2-(2-chloro-4-methylphenyl)pyrrolidine;1-tert-butyl-2-(3-chloro-4-methylphenyl)pyrrolidine;1-tert-butyl-2-(2-chlorophenyl)pyrrolidine;1-tert-butyl-2-(3-chlorophenyl)pyrrolidine;(2R)-1-tert-butyl-2-(2-chlorophenyl)pyrrolidine;(2S)-1-tert-butyl-2-(2-chlorophenyl)pyrrolidine;1-tert-butyl-2-(2,6-dichlorophenyl)pyrrolidine;1-tert-butyl-2-(2-fluorophenyl)pyrrolidine;1-tert-butyl-2-(4-methylphenyl)pyrrolidine (PubChem CID 161037860) has the molecular formula C199H284Br4Cl10F2N14 and a molecular weight of 3584.70 g/mol. Its IUPAC name is 2-(2-bromo-6-chlorophenyl)-1-tert-butylpyrrolidine;2-(2-bromophenyl)-1-tert-butylpyrrolidine;(2R)-2-(2-bromophenyl)-1-tert-butylpyrrolidine;(2S)-2-(2-bromophenyl)-1-tert-butylpyrrolidine;1-tert-butyl-2-(2-chloro-6-fluorophenyl)pyrrolidine;1-tert-butyl-2-(2-chloro-4-methylphenyl)pyrrolidine;1-tert-butyl-2-(3-chloro-4-methylphenyl)pyrrolidine;1-tert-butyl-2-(2-chlorophenyl)pyrrolidine;1-tert-butyl-2-(3-chlorophenyl)pyrrolidine;(2R)-1-tert-butyl-2-(2-chlorophenyl)pyrrolidine;(2S)-1-tert-butyl-2-(2-chlorophenyl)pyrrolidine;1-tert-butyl-2-(2,6-dichlorophenyl)pyrrolidine;1-tert-butyl-2-(2-fluorophenyl)pyrrolidine;1-tert-butyl-2-(4-methylphenyl)pyrrolidine.
| Compound Name | 2-(2-bromo-6-chlorophenyl)-1-tert-butylpyrrolidine;2-(2-bromophenyl)-1-tert-butylpyrrolidine;(2R)-2-(2-bromophenyl)-1-tert-butylpyrrolidine;(2S)-2-(2-bromophenyl)-1-tert-butylpyrrolidine;1-tert-butyl-2-(2-chloro-6-fluorophenyl)pyrrolidine;1-tert-butyl-2-(2-chloro-4-methylphenyl)pyrrolidine;1-tert-butyl-2-(3-chloro-4-methylphenyl)pyrrolidine;1-tert-butyl-2-(2-chlorophenyl)pyrrolidine;1-tert-butyl-2-(3-chlorophenyl)pyrrolidine;(2R)-1-tert-butyl-2-(2-chlorophenyl)pyrrolidine;(2S)-1-tert-butyl-2-(2-chlorophenyl)pyrrolidine;1-tert-butyl-2-(2,6-dichlorophenyl)pyrrolidine;1-tert-butyl-2-(2-fluorophenyl)pyrrolidine;1-tert-butyl-2-(4-methylphenyl)pyrrolidine |
|---|---|
| PubChem CID | 161037860 |
| Molecular Formula | C199H284Br4Cl10F2N14 |
| Molecular Weight | 3584.70 g/mol |
| Exact Mass | 3573.62 |
| IUPAC Name | 2-(2-bromo-6-chlorophenyl)-1-tert-butylpyrrolidine;2-(2-bromophenyl)-1-tert-butylpyrrolidine;(2R)-2-(2-bromophenyl)-1-tert-butylpyrrolidine;(2S)-2-(2-bromophenyl)-1-tert-butylpyrrolidine;1-tert-butyl-2-(2-chloro-6-fluorophenyl)pyrrolidine;1-tert-butyl-2-(2-chloro-4-methylphenyl)pyrrolidine;1-tert-butyl-2-(3-chloro-4-methylphenyl)pyrrolidine;1-tert-butyl-2-(2-chlorophenyl)pyrrolidine;1-tert-butyl-2-(3-chlorophenyl)pyrrolidine;(2R)-1-tert-butyl-2-(2-chlorophenyl)pyrrolidine;(2S)-1-tert-butyl-2-(2-chlorophenyl)pyrrolidine;1-tert-butyl-2-(2,6-dichlorophenyl)pyrrolidine;1-tert-butyl-2-(2-fluorophenyl)pyrrolidine;1-tert-butyl-2-(4-methylphenyl)pyrrolidine |
| SMILES | CC(C)(C)N1CCCC1c1c(Cl)cccc1Br.CC(C)(C)N1CCCC1c1c(Cl)cccc1Cl.CC(C)(C)N1CCCC1c1c(F)cccc1Cl.CC(C)(C)N1CCCC1c1cccc(Cl)c1.CC(C)(C)N1CCCC1c1ccccc1Br.CC(C)(C)N1CCCC1c1ccccc1Cl.CC(C)(C)N1CCCC1c1ccccc1F.CC(C)(C)N1CCC[C@@H]1c1ccccc1Br.CC(C)(C)N1CCC[C@@H]1c1ccccc1Cl.CC(C)(C)N1CCC[C@H]1c1ccccc1Br.CC(C)(C)N1CCC[C@H]1c1ccccc1Cl.Cc1ccc(C2CCCN2C(C)(C)C)c(Cl)c1.Cc1ccc(C2CCCN2C(C)(C)C)cc1.Cc1ccc(C2CCCN2C(C)(C)C)cc1Cl |
| InChI | InChI=1S/2C15H22ClN.C15H23N.C14H19BrClN.3C14H20BrN.C14H19Cl2N.C14H19ClFN.4C14H20ClN.C14H20FN/c1-11-7-8-12(10-13(11)16)14-6-5-9-17(14)15(2,3)4;1-11-7-8-12(13(16)10-11)14-6-5-9-17(14)15(2,3)4;1-12-7-9-13(10-8-12)14-6-5-11-16(14)15(2,3)4;1-14(2,3)17-9-5-8-12(17)13-10(15)6-4-7-11(13)16;3*1-14(2,3)16-10-6-9-13(16)11-7-4-5-8-12(11)15;2*1-14(2,3)17-9-5-8-12(17)13-10(15)6-4-7-11(13)16;1-14(2,3)16-9-5-8-13(16)11-6-4-7-12(15)10-11;4*1-14(2,3)16-10-6-9-13(16)11-7-4-5-8-12(11)15/h2*7-8,10,14H,5-6,9H2,1-4H3;7-10,14H,5-6,11H2,1-4H3;4,6-7,12H,5,8-9H2,1-3H3;3*4-5,7-8,13H,6,9-10H2,1-3H3;2*4,6-7,12H,5,8-9H2,1-3H3;4,6-7,10,13H,5,8-9H2,1-3H3;4*4-5,7-8,13H,6,9-10H2,1-3H3/t;;;;2*13-;;;;;2*13-;;/m....10....10../s1 |
| InChIKey | UAMKBPRKOWJRJJ-AUGFUZOSSA-N |
| XLogP | 61.50 |
| TPSA | 45.36 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 229 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3584.70 |
| LogP ≤ 5 | 61.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |