bmse000626 5_methoxytryptamine at BMRB

5_methoxytryptamine

mexamine; 5-Methoxytryptamine; 2-(5-methoxyindol-3-yl)ethylamine; 5-MT; O-Methylserotonin hydrochloride; 2-(5-methoxy-1H-indol-3-yl)ethanamine; 5-MeOT; 5MOT; O-methylserotonin; 5-methoxy-1H-indole-3-ethanamine; 3-(2-aminoethyl)-5-methoxyindole

Molecular Formula: C11 H14 N2 O
Natural Isotopic Abundance Mass: 190.24166
Mono-Isotopic Molecular Masses: C12N14: 190.1106130819; C13N14: 201.1475162977; C12N15: 192.1046828683; C13N15: 203.1415860841

5_methoxytryptamine

InCHi String:
InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3

canonical and isomeric SMILES:
COC1=CC2=C(C=C1)NC=C2CCN

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2-(5-methoxy-1H-indol-3-yl)ethanamine

PUBCHEM iupac TRADITIONAL NAME
2-(5-methoxy-1H-indol-3-yl)ethylamine

PubChem Substance (SID):   111677769   50111152   46530516
PubChem Compound (CID):   1833
KEGG: Compound ID   n/a
CAS Registry IDs:   608-07-1
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 286583_ALDRICH   ChEBI CHEBI:2089   NCGC NCGC00162256-01   MMCD cq_03185   MDL MFCD00005662

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.