1-(3,4,5-trimethoxyphenyl)propan-2-amine
AlkaPlorer ID: AK020963
Synonym: None
IUPAC Name: 1-(3,4,5-trimethoxyphenyl)propan-2-amine
Structure
SMILES: COC1=CC(CC(C)N)=CC(OC)=C1OC
InChI: InChI=1S/C12H19NO3/c1-8(13)5-9-6-10(14-2)12(16-4)11(7-9)15-3/h6-8H,5,13H2,1-4H3
InChIKey: WGTASENVNYJZBK-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tetradium ruticarpum | Tetradium | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 225.288
TPSA？: 53.71000000000001
MolLogP？: 1.6021
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Homo sapiens | Activity | 2.0 | MU | 10.1021/jm00164a036 |
| Homo sapiens | Homo sapiens | Activity | 2.0 | None | 10.1021/jm980144c |
| Homo sapiens | Homo sapiens | log(activity) | 0.37 | None | 10.1021/jm00222a019 |
| Homo sapiens | Homo sapiens | Log activity | 0.301 | None | 10.1021/jm00164a036 |
| Homo sapiens | Homo sapiens | Relative activity | 2.2 | None | 10.1021/jm00144a009 |
| Oryctolagus cuniculus | Oryctolagus cuniculus | Relative activity | 3.6 | None | 10.1021/jm00144a009 |
| Rattus norvegicus | Rattus norvegicus | ED50 | 6.34 | mg.kg-1 | 10.1021/jm00164a036 |
| Rattus norvegicus | Serotonin 2 (5-HT2) receptor | Ki | 16500.0 | nM | 10.1021/jm00082a014 |
| Rattus norvegicus | Serotonin 2 (5-HT2) receptor | Selectivity | 3.0 | None | 10.1021/jm00082a014 |
| Rattus norvegicus | Serotonin 2b (5-HT2b) receptor | Kd | 2511.89 | nM | 10.1021/jm00144a009 |
| Rattus norvegicus | Serotonin 2c (5-HT2c) receptor | Ki | 5710.0 | nM | 10.1021/jm00082a014 |
| Rattus norvegicus | Serotonin (5-HT) receptor | Kd | 2511.89 | nM | 10.1021/jm00177a017 |
| None | No relevant target | LogP | 1.48 | None | 10.1021/jm00144a009 |
| None | Unchecked | KDNB | 3.14 | None | 10.1021/jm00144a009 |