NY4
Summary
| Name: | N-{4-[(1S)-1-aminoethyl]phenyl}cyclopropanecarboxamide |
| Formula: | C12 H16 N2 O |
| Formal charge: | 0 |
| Formula weight: | 204.268 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{4-[(1S)-1-aminoethyl]phenyl}cyclopropanecarboxamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[4-[(1~{S})-1-azanylethyl]phenyl]cyclopropanecarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C)c1ccc(cc1)NC(=O)C2CC2 |
| InChI | InChI | 1.03 | InChI=1S/C12H16N2O/c1-8(13)9-4-6-11(7-5-9)14-12(15)10-2-3-10/h4-8,10H,2-3,13H2,1H3,(H,14,15)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | CELFORIQAQLUCB-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N)c1ccc(NC(=O)C2CC2)cc1 |
| SMILES | CACTVS | 3.385 | C[CH](N)c1ccc(NC(=O)C2CC2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](c1ccc(cc1)NC(=O)C2CC2)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(c1ccc(cc1)NC(=O)C2CC2)N |
