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
- Formalladung
- 0
- Komplexität
- 175
Zugehörige Reaktionen
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