N-Methylmescaline

HCID 138365CAS 4838-96-4

Grundinformationen

Standard-SMILES
CNCCc1cc(OC)c(OC)c(OC)c1
InChIKey
OTXANOLOOUNVSR-UHFFFAOYSA-N
Summenformel
C12H19NO3
Durchschnittliche Molmasse
225,28 g/mol
Monoisotopische Masse
225,13649347

Überblick

N-methylmescaline is a member of the class of methoxybenzenes that is benzene substituted by a 2-(methylamino)ethyl at position 1 and by methoxy groups at positions 3, 4 , and 5. It has a role as a plant metabolite. It is a phenethylamine alkaloid, a secondary amino compound and a member of methoxybenzenes. It is functionally related to a mescaline. It is a conjugate base of a N-methylmescalinium.

Namen und Bezeichner

Bevorzugter Name
N-Methylmescaline
IUPAC
N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine

Namen und Synonyme

N-MethylmescalineRefChem:8307374838-97-44838-96-4N-Methyl-2-(3,4,5-trimethoxyphenyl)ethanamineBenzenethanamine, 3,4,5-trimethoxy-N-methyl-Benzenethanamine,3,4,5-trimethoxy-N-methyl-methyl[2-(3,4,5-trimethoxyphenyl)ethyl]amineLNN57P8WGGn-Methyl-2-(3,4,5-trimethoxyphenyl)ethan-1-amineN-methyl-3,4,5-trimethoxyphenethylamineBenzeneethanamine,3,4,5-trimethoxy-N-methyl-
Weitere Namen anzeigen
AC1L3CNABenzeneethanamine, 3,4,5-trimethoxy-N-methyl-Mescaline, N-methyl-UNII-LNN57P8WGGPhenethylamine, 3,4,5-trimethoxy-N-methyl-C08310CHEBI:7319CHEMBL100531

Datenbank-Bezeichner

CAS
4838-96-4
PubChem CID
138365
DTXSID
DTXSID00197505
ChEMBL
CHEMBL100531
ChEBI
CHEBI:7319
UNII
LNN57P8WGG
Nikkaji
J886.522A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,2
Polarare Oberfläche (TPSA)
39,7 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
6
Schwere Atome
16

Zugehörige Reaktionen

9

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