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207740-37-2 molecular structure
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1-(2,5-dimethoxy-3,4-dimethylphenyl)propan-2-amine

ChemBase ID: 127529
Molecular Formular: C13H21NO2
Molecular Mass: 223.31134
Monoisotopic Mass: 223.15722892
SMILES and InChIs

SMILES:
COc1c(C)c(C)c(cc1CC(C)N)OC
Canonical SMILES:
COc1cc(CC(N)C)c(c(c1C)C)OC
InChI:
InChI=1S/C13H21NO2/c1-8(14)6-11-7-12(15-4)9(2)10(3)13(11)16-5/h7-8H,6,14H2,1-5H3
InChIKey:
RBZXVDSILZXPDM-UHFFFAOYSA-N

Cite this record

CBID:127529 http://www.chembase.cn/molecule-127529.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2,5-dimethoxy-3,4-dimethylphenyl)propan-2-amine
IUPAC Traditional name
ganesha (psychedelic)
Synonyms
3,4-Dimethyl-2,5-dimethoxyamphetamine2-(3,4-Dimethyl-2,5-dimethoxyphenyl)-1-methyl-1-aminoethane
Ganesha (psychedelic)
CAS Number
207740-37-2
PubChem SID
162221848
PubChem CID
44350044
CHEMBL
339431
Chemspider ID
21106315
Wikipedia Title
Ganesha_(psychedelic)

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.5008019  LogD (pH = 7.4) 0.09323793 
Log P 2.5157506  Molar Refractivity 66.714 cm3
Polarizability 25.868732 Å3 Polar Surface Area 44.48 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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