1-(4-ethoxyphenyl)propan-2-amine
AlkaPlorer ID: AK021103
Synonym: None
IUPAC Name: 1-(4-ethoxyphenyl)propan-2-amine
Structure
SMILES: CCOC1=CC=C(CC(C)N)C=C1
InChI: InChI=1S/C11H17NO/c1-3-13-11-6-4-10(5-7-11)8-9(2)12/h4-7,9H,3,8,12H2,1-2H3
InChIKey: CCAMEVFYMFXHEN-UHFFFAOYSA-N
Reference
PubChem CID: 125379
CAS: 129476-58-0
LOTUS: LTS0077633
NPASS: NPC26524
COCONUT: CNP0191059
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thymus vulgaris | Thymus | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Thymus quinquecostatus | Thymus | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 179.26299999999998
TPSA？: 35.25
MolLogP？: 1.975
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Monoamine oxidase A | IC50 | 200.0 | nM | 10.1021/jm0493109 |
| Rattus norvegicus | Monoamine oxidase A | Ki | 220.0 | nM | 10.1016/j.bmc.2009.01.074 |
| Rattus norvegicus | Monoamine oxidase B | Ki | 100000.0 | nM | 10.1016/j.bmc.2009.01.074 |
| Rattus norvegicus | Serotonin 2 (5-HT2) receptor | Ki | 10000.0 | nM | 10.1021/jm00082a014 |
| Rattus norvegicus | Serotonin 2c (5-HT2c) receptor | Ki | 10000.0 | nM | 10.1021/jm00082a014 |