4-(2-Aminoethyl)-2,6-dibromophenol; Me ether
AlkaPlorer ID: AK024789
Synonym: (3,5-Dibromo-4-methoxyphenyl)ethylamine, 3,5-Dibromo-4-methoxybenzeneethanamine
IUPAC Name: 2-(3,5-dibromo-4-methoxyphenyl)ethanamine
Structure
SMILES: COC1=C(Br)C=C(CCN)C=C1Br
InChI: InChI=1S/C9H11Br2NO/c1-13-9-7(10)4-6(2-3-12)5-8(9)11/h4-5H,2-3,12H2,1H3
InChIKey: LFYPXTIJRXGXFZ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Eudistoma | Polycitoridae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
| None | Eudistoma | Polycitoridae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 309.001
TPSA？: 35.25
MolLogP？: 2.7214
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Amphibalanus amphitrite | Amphibalanus amphitrite | EC50 | 0.07 | ug.mL-1 | 10.1016/s0960-894x(02)00022-7 |
| Homo sapiens | CCRF-CEM | GI50 | 10.0 | nM | 10.1016/s0960-894x(02)00022-7 |
| Homo sapiens | Hs-578T | GI50 | 200.0 | nM | 10.1016/s0960-894x(02)00022-7 |
| Homo sapiens | MCF7 | Growth | 8.0 | % | 10.1016/s0960-894x(02)00022-7 |
| Homo sapiens | NCI-H226 | GI50 | 10.0 | nM | 10.1016/s0960-894x(02)00022-7 |
| Homo sapiens | NCI-H460 | Growth | 53.0 | % | 10.1016/s0960-894x(02)00022-7 |
| Homo sapiens | SF-268 | Growth | 16.0 | % | 10.1016/s0960-894x(02)00022-7 |
| Homo sapiens | SW-620 | GI50 | 10.0 | nM | 10.1016/s0960-894x(02)00022-7 |
| None | ADMET | LD50 | 0.2 | ug ml-1 | 10.1016/s0960-894x(02)00022-7 |