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71539-34-9 molecular structure
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2-(4-ethyl-2,5-dimethoxyphenyl)ethan-1-amine

ChemBase ID: 125312
Molecular Formular: C12H19NO2
Molecular Mass: 209.28476
Monoisotopic Mass: 209.14157885
SMILES and InChIs

SMILES:
COc1cc(CC)c(cc1CCN)OC
Canonical SMILES:
NCCc1cc(OC)c(cc1OC)CC
InChI:
InChI=1S/C12H19NO2/c1-4-9-7-12(15-3)10(5-6-13)8-11(9)14-2/h7-8H,4-6,13H2,1-3H3
InChIKey:
VDRGNAMREYBIHA-UHFFFAOYSA-N

Cite this record

CBID:125312 http://www.chembase.cn/molecule-125312.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-ethyl-2,5-dimethoxyphenyl)ethan-1-amine
IUPAC Traditional name
2-(4-ethyl-2,5-dimethoxyphenyl)ethanamine
Synonyms
2,5-Dimethoxy-4-ethyl-phenethylamine
Aquarust
2C-E
CAS Number
71539-34-9
PubChem SID
162219662
PubChem CID
24729233
CHEMBL
124063
Chemspider ID
21106222
Wikipedia Title
2C-E

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) -0.97479326  LogD (pH = 7.4) -0.20590067 
Log P 2.030323  Molar Refractivity 61.855 cm3
Polarizability 24.101559 Å3 Polar Surface Area 44.48 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Solubility
>70 mg/ml (20 °C) in water expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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