C158H243N11O9 — CID 159319470
1-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-tert-butylphenyl)ethanone;4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine (PubChem CID 159319470) has the molecular formula C158H243N11O9 and a molecular weight of 2440.75 g/mol. Its IUPAC name is 1-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-tert-butylphenyl)ethanone;4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine.
| Compound Name | 1-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-tert-butylphenyl)ethanone;4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine |
|---|---|
| PubChem CID | 159319470 |
| Molecular Formula | C158H243N11O9 |
| Molecular Weight | 2440.75 g/mol |
| Exact Mass | 2438.89 |
| IUPAC Name | 1-(4-amino-1-bicyclo[2.2.2]octanyl)-2-(4-tert-butylphenyl)ethanone;4-amino-N-(3-tert-butylphenyl)bicyclo[2.2.2]octane-1-carboxamide;2-(3-tert-butylphenoxy)-N,N-diethylethanamine;4-[2-(3-tert-butylphenoxy)ethyl]morpholine;1-[2-(3-tert-butylphenoxy)ethyl]pyrrolidin-2-one;4-[(3-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;4-[(4-tert-butylphenoxy)methyl]bicyclo[2.2.2]octan-1-amine;1-[(4-tert-butylphenyl)methyl]-4-methylpiperazine;4-[(4-tert-butylphenyl)methyl]-1-methylpiperidine |
| SMILES | CC(C)(C)c1ccc(CC(=O)C23CCC(N)(CC2)CC3)cc1.CC(C)(C)c1ccc(OCC23CCC(N)(CC2)CC3)cc1.CC(C)(C)c1cccc(NC(=O)C23CCC(N)(CC2)CC3)c1.CC(C)(C)c1cccc(OCC23CCC(N)(CC2)CC3)c1.CC(C)(C)c1cccc(OCCN2CCCC2=O)c1.CC(C)(C)c1cccc(OCCN2CCOCC2)c1.CCN(CC)CCOc1cccc(C(C)(C)C)c1.CN1CCC(Cc2ccc(C(C)(C)C)cc2)CC1.CN1CCN(Cc2ccc(C(C)(C)C)cc2)CC1 |
| InChI | InChI=1S/C20H29NO.C19H28N2O.2C19H29NO.C17H27N.C16H26N2.C16H23NO2.C16H25NO2.C16H27NO/c1-18(2,3)16-6-4-15(5-7-16)14-17(22)19-8-11-20(21,12-9-19)13-10-19;1-17(2,3)14-5-4-6-15(13-14)21-16(22)18-7-10-19(20,11-8-18)12-9-18;1-17(2,3)15-4-6-16(7-5-15)21-14-18-8-11-19(20,12-9-18)13-10-18;1-17(2,3)15-5-4-6-16(13-15)21-14-18-7-10-19(20,11-8-18)12-9-18;1-17(2,3)16-7-5-14(6-8-16)13-15-9-11-18(4)12-10-15;1-16(2,3)15-7-5-14(6-8-15)13-18-11-9-17(4)10-12-18;1-16(2,3)13-6-4-7-14(12-13)19-11-10-17-9-5-8-15(17)18;1-16(2,3)14-5-4-6-15(13-14)19-12-9-17-7-10-18-11-8-17;1-6-17(7-2)11-12-18-15-10-8-9-14(13-15)16(3,4)5/h4-7H,8-14,21H2,1-3H3;4-6,13H,7-12,20H2,1-3H3,(H,21,22);4-7H,8-14,20H2,1-3H3;4-6,13H,7-12,14,20H2,1-3H3;5-8,15H,9-13H2,1-4H3;5-8H,9-13H2,1-4H3;4,6-7,12H,5,8-11H2,1-3H3;4-6,13H,7-12H2,1-3H3;8-10,13H,6-7,11-12H2,1-5H3 |
| InChIKey | LDOKYCXEMJKIAF-UHFFFAOYSA-N |
| XLogP | 32.94 |
| TPSA | 242.14 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 178 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2440.75 |
| LogP ≤ 5 | 32.94 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 18 |