4-(2-Aminoethyl)-2-bromophenol
AlkaPlorer ID: AK002470
Synonym: 2-(3-Bromo-4-hydroxyphenyl)ethylamine, 3-Bromotyramine
IUPAC Name: 4-(2-aminoethyl)-2-bromophenol
Structure
SMILES: NCCC1=CC(Br)=C(O)C=C1
InChI: InChI=1S/C8H10BrNO/c9-7-5-6(3-4-10)1-2-8(7)11/h1-2,5,11H,3-4,10H2
InChIKey: KIKCGMHGZPBUNQ-UHFFFAOYSA-N
Reference
PubChem CID: 5323842
CAS: 98489-01-1
LOTUS: LTS0273882
SuperNatural Ⅲ: SN0186495
NPASS: NPC59387
COCONUT: CNP0107317
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cnemidocarpa | Styelidae | Stolidobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 216.078
TPSA？: 46.25
MolLogP？: 1.6559
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | Activity | nan | None | 10.1021/np980052q |
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np980052q |
| Electrophorus electricus | Acetylcholinesterase | Inhibition | nan | % | 10.1021/acs.jnatprod.0c00789 |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np980052q |
| Homo sapiens | HeLa | Inhibition | nan | % | 10.1021/acs.jnatprod.0c00789 |
| Mus musculus | P388 | IC50 | 46000.0 | nM | 10.1021/np980052q |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Activity | nan | None | 10.1021/np980052q |
| None | ADMET | Activity | nan | None | 10.1021/acs.jnatprod.0c00789 |
| None | Unchecked | Activity | nan | None | 10.1021/acs.jnatprod.0c00789 |