CAS 1019-45-0|5-MeO-DMT|[2-(5-methoxy-1H-indol-3-yl)ethyl]dimethylamine|N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N,N-dimethylamine|5-MeO-DMT|3-(2-Dimethylaminoethyl)-5-methoxyindole|3-[2-(Dimethylamino)...

基本信息

化学结构

分子式

C₁₃H₁₈N₂O

分子量

218.29482

精确质量

218.14191321

电荷

InChI

InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3

InChIKey

ZSTKHSQDNIGFLM-UHFFFAOYSA-N

Canonic Smiles

COc1ccc2c(c1)c(CCN(C)C)c[nH]2

Isomeric Smiles

[nH]1cc(c2c1ccc(c2)OC)CCN(C)C

计算属性

JChem

LogD (pH = 7.4)

-0.16

LogD (pH = 5.5)

-1.28

Log P

2.14

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

9.73

极化表面积

28.26

极化性

25.46

摩尔折射率

66.91

LOG S

-2.03

数据来源

名称和标识

IUPAC传统名

5-MeO-DMT [2-(5-methoxy-1H-indol-3-yl)ethyl]dimethylamine

IUPAC标准名

[2-(5-methoxy-1H-indol-3-yl)ethyl]dimethylamine

别名

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N,N-dimethylamine5-MeO-DMT3-(2-Dimethylaminoethyl)-5-methoxyindole3-[2-(Dimethylamino)ethyl]-5-methoxyindoleNSC 886245-Methoxy-N,N-dimethyltryptamineCT 43345-Methoxy-DMT5-MeO-DMTN,N-Dimethyl-5-methoxytryptamineO-MethylbufotenineMethoxydimethyltryptamine5-Methoxydimethyltryptamine5-Methoxy-N,N-dimethyl-1H-indole-3-ethanamine5-OMe-DMTMethylbufotenine5-Methoxy-N,N-dimethyltryptamineMethoxybufoteninIndole, 3-(2-(N,N-dimethylamino)ethyl)-5-methoxy-3-[2-(N,N-Dimethylamino)ethyl]-5-methoxy-indoleO-Methylbufotenine3-(2-dimethylaminoethyl)-5-methoxyindoleO-methylbufotenineMeODMTMethoxybufotenin5-MeO-DMT5-methoxy-N,N-dimethyl-1H-indole-3-ethanamineN,N-dimethyl-5-methoxytryptaminemethoxybufotenin5-methoxy-N,N-dimethyltryptamine5-Methoxy-N,N-dimethyltryptamine

名称和标识

数据登录号

CHEBI ID

CHEMBL

IUPHAR配体索引

PubChem CID

KEGG ID