Home > Compound List > Compound details
140853-58-3 molecular structure
click picture or here to close

[2-(5-methoxy-1-benzofuran-3-yl)ethyl]dimethylamine

ChemBase ID: 127063
Molecular Formular: C13H17NO2
Molecular Mass: 219.27958
Monoisotopic Mass: 219.12592879
SMILES and InChIs

SMILES:
CN(C)CCc1coc2c1cc(cc2)OC
Canonical SMILES:
COc1ccc2c(c1)c(CCN(C)C)co2
InChI:
InChI=1S/C13H17NO2/c1-14(2)7-6-10-9-16-13-5-4-11(15-3)8-12(10)13/h4-5,8-9H,6-7H2,1-3H3
InChIKey:
WBPQJTBOQCCTFX-UHFFFAOYSA-N

Cite this record

CBID:127063 http://www.chembase.cn/molecule-127063.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(5-methoxy-1-benzofuran-3-yl)ethyl]dimethylamine
IUPAC Traditional name
dimemebfe
Synonyms
Dimemebfe
CAS Number
140853-58-3
PubChem SID
162221386
PubChem CID
126589
Chemspider ID
112474
Wikipedia Title
Dimemebfe

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) -1.0124806  LogD (pH = 7.4) 0.5651358 
Log P 2.204756  Molar Refractivity 64.66 cm3
Polarizability 26.058777 Å3 Polar Surface Area 25.61 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Bioassay(PubChem)
Legal Status
legal expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle