A1CU5
Summary
| Name: | 1-[2-(1H-pyrrol-1-yl)phenyl]methanamine |
| Formula: | C11 H12 N2 |
| Formal charge: | 0 |
| Formula weight: | 172.226 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-[2-(1H-pyrrol-1-yl)phenyl]methanamine |
| OpenEye OEToolkits | 3.1.0.0 | (2-pyrrol-1-ylphenyl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NCc1ccccc1n1cccc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H12N2/c12-9-10-5-1-2-6-11(10)13-7-3-4-8-13/h1-8H,9,12H2 |
| InChIKey | InChI | 1.06 | BNDYBXDAGIQWOB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1ccccc1n2cccc2 |
| SMILES | CACTVS | 3.385 | NCc1ccccc1n2cccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(c(c1)CN)n2cccc2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(c(c1)CN)n2cccc2 |
