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16128-88-4 molecular structure
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1-(4-ethoxy-2,5-dimethoxyphenyl)propan-2-amine

ChemBase ID: 125228
Molecular Formular: C13H21NO3
Molecular Mass: 239.31074
Monoisotopic Mass: 239.15214354
SMILES and InChIs

SMILES:
O(c1cc(OC)c(cc1OC)CC(N)C)CC
Canonical SMILES:
CCOc1cc(OC)c(cc1OC)CC(N)C
InChI:
InChI=1S/C13H21NO3/c1-5-17-13-8-11(15-3)10(6-9(2)14)7-12(13)16-4/h7-9H,5-6,14H2,1-4H3
InChIKey:
ITZLAXJQDMGDEO-UHFFFAOYSA-N

Cite this record

CBID:125228 http://www.chembase.cn/molecule-125228.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-ethoxy-2,5-dimethoxyphenyl)propan-2-amine
IUPAC Traditional name
1-(4-ethoxy-2,5-dimethoxyphenyl)propan-2-amine
Synonyms
2,5-Dimethoxy-4-ethoxyamphetamine
CAS Number
16128-88-4
PubChem SID
162219578
PubChem CID
542053
CHEMBL
8225
Chemspider ID
472023
Wikipedia Title
2,5-Dimethoxy-4-ethoxyamphetamine

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) -1.3283876  LogD (pH = 7.4) -0.7320533 
Log P 1.6880447  Molar Refractivity 67.8434 cm3
Polarizability 26.694712 Å3 Polar Surface Area 53.71 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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