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4-Bromo-2,5-Dimethoxyphenethylamine

AlkaPlorer ID: AK007395

Synonym: None

IUPAC Name: 2-(4-bromo-2,5-dimethoxyphenyl)ethanamine

Structure

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

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InChI: InChI=1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3

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InChIKey: YMHOBZXQZVXHBM-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 260.131

TPSA？: 44.480000000000004

MolLogP？: 1.9674999999999998

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Homo sapiens Activity 16.0 None 10.1021/jm980144c
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki 0.66 nM 10.1021/jm060656o
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki 1.0 nM 10.1021/jm00039a004
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki 34.0 nM 10.1021/jm00039a004
Homo sapiens Trace amine-associated receptor 1 EC50 7190.0 nM 10.1016/j.bmc.2008.06.009
Homo sapiens Trace amine-associated receptor 1 Emax 22.0 % 10.1016/j.bmc.2008.06.009
Homo sapiens Whole blood Retention_time 4.52 min 10.1007/s00044-012-9977-1
Rattus norvegicus Serotonin 2 (5-HT2) receptor Ki 34.0 nM 10.1021/jm00082a014
Rattus norvegicus Serotonin 2 (5-HT2) receptor Selectivity 1.0 None 10.1021/jm00082a014
Rattus norvegicus Serotonin 2a (5-HT2a) receptor EC50 27.0 nM 10.1021/jm060656o
Rattus norvegicus Serotonin 2a (5-HT2a) receptor EC50 nan None 10.1021/jm060656o
Rattus norvegicus Serotonin 2a (5-HT2a) receptor Intrinsic activity 82.0 % 10.1021/jm060656o
Rattus norvegicus Serotonin 2a (5-HT2a) receptor Ki 0.88 nM 10.1021/jm060656o
Rattus norvegicus Serotonin 2a (5-HT2a) receptor Ki 16.0 nM 10.1021/jm9906062
Rattus norvegicus Serotonin 2c (5-HT2c) receptor Ki 36.0 nM 10.1021/jm00039a004
Rattus norvegicus Serotonin 2c (5-HT2c) receptor Ki 36.0 nM 10.1021/jm00082a014
Rattus norvegicus Serotonin 2c (5-HT2c) receptor Ki 190.0 nM 10.1021/jm9906062
None Unchecked Ratio 34.0 None 10.1021/jm00039a004
None Unchecked Ratio 36.0 None 10.1021/jm00039a004

Metabolism Information