M16
Summary
| Name: | 7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine |
| Formula: | C18 H19 N3 |
| Formal charge: | 0 |
| Formula weight: | 277.364 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine |
| OpenEye OEToolkits | 2.0.7 | 7-[4-(2-azanylethyl)phenyl]-4-methyl-quinolin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NCCc1ccc(cc1)c2ccc3c(C)cc(N)nc3c2 |
| InChI | InChI | 1.03 | InChI=1S/C18H19N3/c1-12-10-18(20)21-17-11-15(6-7-16(12)17)14-4-2-13(3-5-14)8-9-19/h2-7,10-11H,8-9,19H2,1H3,(H2,20,21) |
| InChIKey | InChI | 1.03 | JQIPWXPQEFGIOD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(N)nc2cc(ccc12)c3ccc(CCN)cc3 |
| SMILES | CACTVS | 3.385 | Cc1cc(N)nc2cc(ccc12)c3ccc(CCN)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CCN)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CCN)N |
