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1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-3-(methoxymethyl)pyrrolidine

ChemBase ID: 577324
Molecular Formular: C17H23NO2
Molecular Mass: 273.37002
Monoisotopic Mass: 273.17287898
SMILES and InChIs

SMILES:
c1(c(c2c(o1)ccc(c2)C)C)CN1CC(CC1)COC
Canonical SMILES:
COCC1CCN(C1)Cc1oc2c(c1C)cc(cc2)C
InChI:
InChI=1S/C17H23NO2/c1-12-4-5-16-15(8-12)13(2)17(20-16)10-18-7-6-14(9-18)11-19-3/h4-5,8,14H,6-7,9-11H2,1-3H3
InChIKey:
RKCOGEIVCAASDP-UHFFFAOYSA-N

Cite this record

CBID:577324 http://www.chembase.cn/molecule-577324.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-3-(methoxymethyl)pyrrolidine
IUPAC Traditional name
1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-3-(methoxymethyl)pyrrolidine
Synonyms
1-[(3,5-dimethyl-1-benzofuran-2-yl)methyl]-3-(methoxymethyl)pyrrolidine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -0.36833942  LogD (pH = 7.4) 0.8391707 
Log P 3.0393848  Molar Refractivity 81.9954 cm3
Polarizability 32.63935 Å3 Polar Surface Area 25.61 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.98  LOG S -2.73 
Polar Surface Area 25.61 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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