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92206-37-6 molecular structure
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[1-(2,5-dimethoxy-4-methylphenyl)propan-2-yl](methyl)amine

ChemBase ID: 126051
Molecular Formular: C13H21NO2
Molecular Mass: 223.31134
Monoisotopic Mass: 223.15722892
SMILES and InChIs

SMILES:
O(c1cc(c(OC)cc1CC(NC)C)C)C
Canonical SMILES:
CNC(Cc1cc(OC)c(cc1OC)C)C
InChI:
InChI=1S/C13H21NO2/c1-9-6-13(16-5)11(7-10(2)14-3)8-12(9)15-4/h6,8,10,14H,7H2,1-5H3
InChIKey:
IWYGVDBZCSCJGT-UHFFFAOYSA-N

Cite this record

CBID:126051 http://www.chembase.cn/molecule-126051.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[1-(2,5-dimethoxy-4-methylphenyl)propan-2-yl](methyl)amine
IUPAC Traditional name
beatrice (psychedelic)
Synonyms
4-Methyl-2,5-dimethoxy-methamphetamine
2-(4-Methyl-2,5-dimethoxyphenyl)ethan-alpha,N-methylamine
Beatrice (psychedelic)
CAS Number
92206-37-6
PubChem SID
162220392
PubChem CID
212480
CHEMBL
19044
Chemspider ID
184247
Wikipedia Title
Beatrice_(psychedelic)

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.78484064  LogD (pH = 7.4) -0.0936384 
Log P 2.4349098  Molar Refractivity 66.4474 cm3
Polarizability 25.946026 Å3 Polar Surface Area 30.49 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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