XLJ
Summary
| Name: | (2S)-2-(1H-indol-3-yl)propan-1-amine |
| Formula: | C11 H14 N2 |
| Formal charge: | 0 |
| Formula weight: | 174.242 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-(1H-indol-3-yl)propan-1-amine |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(1~{H}-indol-3-yl)propan-1-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(c1cnc2ccccc12)CN |
| InChI | InChI | 1.03 | InChI=1S/C11H14N2/c1-8(6-12)10-7-13-11-5-3-2-4-9(10)11/h2-5,7-8,13H,6,12H2,1H3/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | UNUICNBHOJTXMS-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](CN)c1c[nH]c2ccccc12 |
| SMILES | CACTVS | 3.385 | C[CH](CN)c1c[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](CN)c1c[nH]c2c1cccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CN)c1c[nH]c2c1cccc2 |
