Molecule

2,5-Dimethoxy-4-(trifluoromethyl)phenethylamine

AlkaPlorer ID: AK005563

Synonym: None

IUPAC Name: 2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]ethanamine

SMILES: COC1=CC(=C(C=C1CCN)OC)C(F)(F)F

InChI: InChI=1S/C11H14F3NO2/c1-16-9-6-8(11(12,13)14)10(17-2)5-7(9)3-4-15/h5-6H,3-4,15H2,1-2H3

InChIKey: LYXGNMLWYONZID-UHFFFAOYSA-N

PubChem CID: 10399795

CAS: 159277-08-4

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Molecule Weight: 249.23199999999994

TPSA？: 44.480000000000004

MolLogP？: 2.2237999999999998

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 1

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Mus musculus	Serotonin 2a (5-HT2a) receptor	K aff	165.0	nM	10.1021/jm00051a011
Mus musculus	Serotonin 2a (5-HT2a) receptor	Vmax	58.0	None	10.1021/jm00051a011
Mus musculus	Serotonin 2c (5-HT2c) receptor	K aff	32.0	nM	10.1021/jm00051a011
Mus musculus	Serotonin 2c (5-HT2c) receptor	Vmax	80.0	None	10.1021/jm00051a011
Rattus norvegicus	Rattus norvegicus	ED50	0.82	umol.kg-1	10.1021/jm00051a011
Rattus norvegicus	Rattus norvegicus	SDL	0.0	%	10.1021/jm00051a011
Rattus norvegicus	Rattus norvegicus	SDL	20.0	%	10.1021/jm00051a011
Rattus norvegicus	Rattus norvegicus	SDL	60.0	%	10.1021/jm00051a011
Rattus norvegicus	Rattus norvegicus	SDL	80.0	%	10.1021/jm00051a011
Rattus norvegicus	Rattus norvegicus	SDL	83.0	%	10.1021/jm00051a011
Rattus norvegicus	Rattus norvegicus	SDL	100.0	%	10.1021/jm00051a011
Rattus norvegicus	Serotonin 1a (5-HT1a) receptor	Ki	3422.0	nM	10.1021/jm00051a011
Rattus norvegicus	Serotonin receptor 2a and 2c (5HT2A and 5HT2C)	Ki	1.1	nM	10.1021/jm00051a011
Rattus norvegicus	Serotonin receptor 2a and 2c (5HT2A and 5HT2C)	Ki	74.5	nM	10.1021/jm00051a011