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15394-83-9 molecular structure
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2-[2,5-dimethoxy-4-(propan-2-yloxy)phenyl]ethan-1-amine

ChemBase ID: 125317
Molecular Formular: C13H21NO3
Molecular Mass: 239.31074
Monoisotopic Mass: 239.15214354
SMILES and InChIs

SMILES:
CC(C)Oc1cc(OC)c(cc1OC)CCN
Canonical SMILES:
NCCc1cc(OC)c(cc1OC)OC(C)C
InChI:
InChI=1S/C13H21NO3/c1-9(2)17-13-8-11(15-3)10(5-6-14)7-12(13)16-4/h7-9H,5-6,14H2,1-4H3
InChIKey:
KAKXJLWAEMHHTL-UHFFFAOYSA-N

Cite this record

CBID:125317 http://www.chembase.cn/molecule-125317.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[2,5-dimethoxy-4-(propan-2-yloxy)phenyl]ethan-1-amine
IUPAC Traditional name
2-(4-isopropoxy-2,5-dimethoxyphenyl)ethanamine
Synonyms
2C-O-4
CAS Number
15394-83-9
PubChem SID
162219667
PubChem CID
44719510
Chemspider ID
21106225
Wikipedia Title
2C-O-4

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) -1.3173476  LogD (pH = 7.4) -0.55189174 
Log P 1.6880447  Molar Refractivity 67.8434 cm3
Polarizability 26.694723 Å3 Polar Surface Area 53.71 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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