7Z3
Summary
| Name: | 1-(3-PYRROLIDIN-1-YLPHENYL)METHANAMINE |
| Synonyms: | CC38513 |
| Formula: | C11 H16 N2 |
| Formal charge: | 0 |
| Formula weight: | 176.258 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[3-(pyrrolidin-1-yl)phenyl]methanamine |
| OpenEye OEToolkits | 1.9.2 | (3-pyrrolidin-1-ylphenyl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccc(cc1CN)N2CCCC2 |
| InChI | InChI | 1.03 | InChI=1S/C11H16N2/c12-9-10-4-3-5-11(8-10)13-6-1-2-7-13/h3-5,8H,1-2,6-7,9,12H2 |
| InChIKey | InChI | 1.03 | BXTWTBYGOKOWQX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1cccc(c1)N2CCCC2 |
| SMILES | CACTVS | 3.385 | NCc1cccc(c1)N2CCCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)N2CCCC2)CN |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)N2CCCC2)CN |
