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155337-52-3 molecular structure
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methyl 3-(4-ethylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

ChemBase ID: 129323
Molecular Formular: C18H25NO2
Molecular Mass: 287.3966
Monoisotopic Mass: 287.18852905
SMILES and InChIs

SMILES:
CCc1ccc(cc1)C1C(C(=O)OC)C2CCC(C1)N2C
Canonical SMILES:
COC(=O)C1C2CCC(N2C)CC1c1ccc(cc1)CC
InChI:
InChI=1S/C18H25NO2/c1-4-12-5-7-13(8-6-12)15-11-14-9-10-16(19(14)2)17(15)18(20)21-3/h5-8,14-17H,4,9-11H2,1-3H3
InChIKey:
UAMCGXVVAUEEEU-UHFFFAOYSA-N

Cite this record

CBID:129323 http://www.chembase.cn/molecule-129323.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 3-(4-ethylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
IUPAC Traditional name
methyl 3-(4-ethylphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Synonyms
RTI-83
CAS Number
155337-52-3
PubChem SID
162223617
PubChem CID
22896888
9882384
Wikipedia Title
RTI-83

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.14489314  LogD (pH = 7.4) 1.5751908 
Log P 3.4692264  Molar Refractivity 84.1523 cm3
Polarizability 33.186676 Å3 Polar Surface Area 29.54 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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