C201H193Cl4F5N24O4 — CID 159574716
6-(aminomethyl)-7-methylisoquinolin-1-amine;6-(aminomethyl)-7-methylnaphthalen-1-amine;7-(aminomethyl)-6-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-carboxamide;6-chloro-7-methylisoquinoline;6-chloro-7-methylnaphthalen-1-amine;7-chloro-6-methylnaphthalen-1-amine;2-chloro-3-methylnaphthalene;6-fluoro-7-methylisoquinoline;7-fluoro-6-methylisoquinoline;6-fluoro-7-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;2-fluoro-3-methylnaphthalene;7-methylisoquinoline-6-carboxamide;(7-methylisoquinolin-6-yl)methanamine;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine (PubChem CID 159574716) has the molecular formula C201H193Cl4F5N24O4 and a molecular weight of 3245.72 g/mol. Its IUPAC name is 6-(aminomethyl)-7-methylisoquinolin-1-amine;6-(aminomethyl)-7-methylnaphthalen-1-amine;7-(aminomethyl)-6-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-carboxamide;6-chloro-7-methylisoquinoline;6-chloro-7-methylnaphthalen-1-amine;7-chloro-6-methylnaphthalen-1-amine;2-chloro-3-methylnaphthalene;6-fluoro-7-methylisoquinoline;7-fluoro-6-methylisoquinoline;6-fluoro-7-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;2-fluoro-3-methylnaphthalene;7-methylisoquinoline-6-carboxamide;(7-methylisoquinolin-6-yl)methanamine;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine.
| Compound Name | 6-(aminomethyl)-7-methylisoquinolin-1-amine;6-(aminomethyl)-7-methylnaphthalen-1-amine;7-(aminomethyl)-6-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-carboxamide;6-chloro-7-methylisoquinoline;6-chloro-7-methylnaphthalen-1-amine;7-chloro-6-methylnaphthalen-1-amine;2-chloro-3-methylnaphthalene;6-fluoro-7-methylisoquinoline;7-fluoro-6-methylisoquinoline;6-fluoro-7-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;2-fluoro-3-methylnaphthalene;7-methylisoquinoline-6-carboxamide;(7-methylisoquinolin-6-yl)methanamine;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine |
|---|---|
| PubChem CID | 159574716 |
| Molecular Formula | C201H193Cl4F5N24O4 |
| Molecular Weight | 3245.72 g/mol |
| Exact Mass | 3241.43 |
| IUPAC Name | 6-(aminomethyl)-7-methylisoquinolin-1-amine;6-(aminomethyl)-7-methylnaphthalen-1-amine;7-(aminomethyl)-6-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-carboxamide;6-chloro-7-methylisoquinoline;6-chloro-7-methylnaphthalen-1-amine;7-chloro-6-methylnaphthalen-1-amine;2-chloro-3-methylnaphthalene;6-fluoro-7-methylisoquinoline;7-fluoro-6-methylisoquinoline;6-fluoro-7-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;2-fluoro-3-methylnaphthalene;7-methylisoquinoline-6-carboxamide;(7-methylisoquinolin-6-yl)methanamine;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine |
| SMILES | Cc1cc2c(N)cccc2cc1C(N)=O.Cc1cc2c(N)cccc2cc1CN.Cc1cc2c(N)cccc2cc1Cl.Cc1cc2c(N)cccc2cc1F.Cc1cc2c(N)nccc2cc1CN.Cc1cc2cccc(N)c2cc1C(N)=O.Cc1cc2cccc(N)c2cc1CN.Cc1cc2cccc(N)c2cc1Cl.Cc1cc2cccc(N)c2cc1F.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1cc2ccncc2cc1F.Cc1cc2cnccc2cc1C(N)=O.Cc1cc2cnccc2cc1CN.Cc1cc2cnccc2cc1Cl.Cc1cc2cnccc2cc1F |
| InChI | InChI=1S/2C12H12N2O.2C12H14N2.C12H11NO.C12H13N.2C11H10ClN.C11H9Cl.2C11H10FN.C11H9F.C11H13N3.C11H10N2O.C11H12N2.C10H8ClN.2C10H8FN/c1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15;1-7-5-8-3-2-4-11(13)10(8)6-9(7)12(14)15;1-8-5-11-9(6-10(8)7-13)3-2-4-12(11)14;1-8-5-9-3-2-4-12(14)11(9)6-10(8)7-13;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-7-5-9-8(6-10(7)12)3-2-4-11(9)13;1-7-5-8-3-2-4-11(13)9(8)6-10(7)12;1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-7-5-9-8(6-10(7)12)3-2-4-11(9)13;1-7-5-8-3-2-4-11(13)9(8)6-10(7)12;1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-7-4-10-8(5-9(7)6-12)2-3-14-11(10)13;1-7-4-9-6-13-3-2-8(9)5-10(7)11(12)14;1-8-4-11-7-13-3-2-9(11)5-10(8)6-12;2*1-7-4-9-6-12-3-2-8(9)5-10(7)11;1-7-4-8-2-3-12-6-9(8)5-10(7)11/h2*2-6H,13H2,1H3,(H2,14,15);2*2-6H,7,13-14H2,1H3;2-7H,1H3,(H2,13,14);2-7H,8,13H2,1H3;2*2-6H,13H2,1H3;2-7H,1H3;2*2-6H,13H2,1H3;2-7H,1H3;2-5H,6,12H2,1H3,(H2,13,14);2-6H,1H3,(H2,12,14);2-5,7H,6,12H2,1H3;3*2-6H,1H3 |
| InChIKey | MIGHUOSGRUYNDI-UHFFFAOYSA-N |
| XLogP | 46.28 |
| TPSA | 613.98 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 238 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3245.72 |
| LogP ≤ 5 | 46.28 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'} |
|---|