S4D
Summary
| Name: | (1R,3S)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylcyclopentan-1-amine |
| Formula: | C14 H19 N O2 |
| Formal charge: | 0 |
| Formula weight: | 233.306 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R,3S)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methylcyclopentan-1-amine |
| OpenEye OEToolkits | 2.0.7 | (1~{R},3~{S})-~{N}-(1,3-benzodioxol-5-ylmethyl)-3-methyl-cyclopentan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(cc2c1OCO2)CNC3CC(C)CC3 |
| InChI | InChI | 1.03 | InChI=1S/C14H19NO2/c1-10-2-4-12(6-10)15-8-11-3-5-13-14(7-11)17-9-16-13/h3,5,7,10,12,15H,2,4,6,8-9H2,1H3 |
| InChIKey | InChI | 1.03 | XIPYONXASDNYLO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CC[C@H](C1)NCc2ccc3OCOc3c2 |
| SMILES | CACTVS | 3.385 | C[CH]1CC[CH](C1)NCc2ccc3OCOc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CC[C@H](C1)NCc2ccc3c(c2)OCO3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCC(C1)NCc2ccc3c(c2)OCO3 |
