N-Methylmescaline

HCID 138365

基本情報

CAS
4838-96-4
標準SMILES
CNCCc1cc(OC)c(OC)c(OC)c1
InChIKey
OTXANOLOOUNVSR-UHFFFAOYSA-N
分子式
C12H19NO3
平均分子量
225.28 g/mol
単同位体質量
225.13649347

概要

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.

名称と識別子

優先名称
N-Methylmescaline
IUPAC
N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine

名称と別名

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-
名称をさらに表示
AC1L3CNABenzeneethanamine, 3,4,5-trimethoxy-N-methyl-Mescaline, N-methyl-UNII-LNN57P8WGGPhenethylamine, 3,4,5-trimethoxy-N-methyl-C08310CHEBI:7319CHEMBL100531

データベース識別子

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

物性

構造計算による物性

XLogP
1.2
極性表面積
39.7 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
6
重原子数
16

関連反応

9 件

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