C126H147F4N23O4 — CID 157252243
(2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;3-(4-methylphenyl)-1,4-dihydropyrazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine (PubChem CID 157252243) has the molecular formula C126H147F4N23O4 and a molecular weight of 2123.71 g/mol. Its IUPAC name is (2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;3-(4-methylphenyl)-1,4-dihydropyrazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine.
| Compound Name | (2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;3-(4-methylphenyl)-1,4-dihydropyrazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine |
|---|---|
| PubChem CID | 157252243 |
| Molecular Formula | C126H147F4N23O4 |
| Molecular Weight | 2123.71 g/mol |
| Exact Mass | 2122.19 |
| IUPAC Name | (2-fluoro-6-methylphenyl)methanamine;(3-fluoro-2-methylphenyl)methanamine;(4-fluoro-2-methylphenyl)methanamine;(5-fluoro-2-methylphenyl)methanamine;1-methoxy-4-methylbenzene;3-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;5-methyl-1H-indazol-3-amine;7-methylisoquinolin-1-amine;3-(4-methylphenyl)-1,4-dihydropyrazol-5-one;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;(4-methylphenyl)methanamine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine |
| SMILES | COc1ccc(C)cc1.Cc1c(F)cccc1CN.Cc1cc(F)ccc1CN.Cc1ccc(C2=NNC(=O)C2)cc1.Cc1ccc(CN)cc1.Cc1ccc(F)cc1CN.Cc1ccc2[nH]nc(N)c2c1.Cc1ccc2ccnc(N)c2c1.Cc1ccc2cnnc(N)c2c1.Cc1ccc2ncnc(N)c2c1.Cc1ccc2onc(N)c2c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1cccc(F)c1CN.Cc1ccccc1CN |
| InChI | InChI=1S/C10H10N2O.C10H10N2.2C9H9N3.4C8H10FN.C8H9N3.C8H8N2O.C8H9NO.3C8H11N.C8H10O/c1-7-2-4-8(5-3-7)9-6-10(13)12-11-9;1-7-2-3-8-4-5-12-10(11)9(8)6-7;1-6-2-3-8-7(4-6)9(10)12-5-11-8;1-6-2-3-7-5-11-12-9(10)8(7)4-6;1-6-4-8(9)3-2-7(6)5-10;1-6-2-3-8(9)4-7(6)5-10;1-6-7(5-10)3-2-4-8(6)9;1-6-3-2-4-8(9)7(6)5-10;1-5-2-3-7-6(4-5)8(9)11-10-7;1-5-2-3-7-6(4-5)8(9)10-11-7;1-6-3-2-4-7(5-6)8(9)10;1-7-2-4-8(6-9)5-3-7;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-7-3-5-8(9-2)6-4-7/h2-5H,6H2,1H3,(H,12,13);2-6H,1H3,(H2,11,12);2-5H,1H3,(H2,10,11,12);2-5H,1H3,(H2,10,12);4*2-4H,5,10H2,1H3;2-4H,1H3,(H3,9,10,11);2-4H,1H3,(H2,9,10);2-5H,1H3,(H2,9,10);3*2-5H,6,9H2,1H3;3-6H,1-2H3 |
| InChIKey | AWMAAFWSNNKNQK-UHFFFAOYSA-N |
| XLogP | 23.39 |
| TPSA | 525.18 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 157 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2123.71 |
| LogP ≤ 5 | 23.39 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 24 |