Molecular Identity
Dopamine
4-(2-aminoethyl)benzene-1,2-diol
PubChem CID: 681
Dopamine is catechol in which the hydrogen at position 4 is substituted by a 2-aminoethyl group. It has a role as a beta-adrenergic agonist, a sympathomimetic agent, a cardiotonic drug, a dopaminergic agent, a mouse metabolite, an Escherichia coli metabolite and a human metabolite. It is a conjugate base of a dopaminium(1+).
2D Structure
Properties
C8H11NO2
Molecular Formula
153.18
Molecular Weight
g/mol
153.0790
Exact Mass
Da
-1
XLogP
Drug-like (Lipinski: < 5)
66.5
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
3
H-Bond Acceptors
119
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=C(C=C1CCN)O)OIsomeric SMILES
SMILES: C1=CC(=C(C=C1CCN)O)OSynonyms(20)
dopamine4-(2-Aminoethyl)benzene-1,2-diol51-61-63-HydroxytyramineOxytyramineHydroxytyraminDopamin3,4-dihydroxyphenethylamine4-(2-Aminoethyl)catechol4-(2-Aminoethyl)pyrocatecholhydroxytyramine2-(3,4-dihydroxyphenyl)ethylamineDopaminaDopaminum3,4-Dihydroxyphenylethylamine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Dopamine
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