JTZ
Summary
Name: | (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol |
Formula: | C15 H23 N O2 |
Formal charge: | 0 |
Formula weight: | 249.349 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (2S)-1-(propan-2-ylamino)-3-[2-(prop-2-en-1-yl)phenoxy]propan-2-ol |
OpenEye OEToolkits | 1.7.0 | (2S)-1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O(c1ccccc1C\C=C)CC(O)CNC(C)C |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)NC[C@H](O)COc1ccccc1CC=C |
SMILES | CACTVS | 3.370 | CC(C)NC[CH](O)COc1ccccc1CC=C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)NC[C@@H](COc1ccccc1CC=C)O |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)NCC(COc1ccccc1CC=C)O |
InChI | InChI | 1.03 | InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3/t14-/m0/s1 |
InChIKey | InChI | 1.03 | PAZJSJFMUHDSTF-AWEZNQCLSA-N |