SW2
Summary
| Name: | 1-[3-(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 | 12.01 | 1-[3-(1H-pyrrol-1-yl)phenyl]methanamine |
| OpenEye OEToolkits | 1.7.2 | (3-pyrrol-1-ylphenyl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccc(cc1CN)n2cccc2 |
| InChI | InChI | 1.03 | InChI=1S/C11H12N2/c12-9-10-4-3-5-11(8-10)13-6-1-2-7-13/h1-8H,9,12H2 |
| InChIKey | InChI | 1.03 | XLBYUDUEHVKUKQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NCc1cccc(c1)n2cccc2 |
| SMILES | CACTVS | 3.370 | NCc1cccc(c1)n2cccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccn(c1)c2cccc(c2)CN |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccn(c1)c2cccc(c2)CN |
