3-[(2-ethylhexyl)oxy]propan-1-amine
AlkaPlorer ID: AK028965
Synonym: None
IUPAC Name: 3-(2-ethylhexoxy)propan-1-amine
Structure
SMILES: CCCCC(CC)COCCCN
InChI: InChI=1S/C11H25NO/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-10,12H2,1-2H3
InChIKey: DVFGEIYOLIFSRX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Liriope muscari | Liriope | Asparagaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Ophiopogon japonicus | Ophiopogon | Asparagaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 187.327
TPSA？: 35.25
MolLogP？: 2.5682
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cytochrome P450 3A4 | Potency | 31622.8 | nM | None |
| Homo sapiens | Lymphoblastoid cell | Potency | 39810.7 | nM | None |
| Homo sapiens | Nuclear receptor ROR-gamma | Potency | 33491.5 | nM | None |