ethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride

C17H24ClNO2 — CID 3040375

IUPACethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1(c2ccccc2)CC2CCC(C1)N2C.Cl
InChIInChI=1S/C17H23NO2.ClH/c1-3-20-16(19)17(13-7-5-4-6-8-13)11-14-9-10-15(12-17)18(14)2;/h4-8,14-15H,3,9-12H2,1-2H3;1H
InChIKeyYBLSHXWRVRWYPH-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.17
Rot. Bonds3

About ethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride

ethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride (PubChem CID 3040375) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is ethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride
PubChem CID3040375
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Nameethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1(c2ccccc2)CC2CCC(C1)N2C.Cl
InChIInChI=1S/C17H23NO2.ClH/c1-3-20-16(19)17(13-7-5-4-6-8-13)11-14-9-10-15(12-17)18(14)2;/h4-8,14-15H,3,9-12H2,1-2H3;1H
InChIKeyYBLSHXWRVRWYPH-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride with MolForge

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Related Compounds

methyl (1S,5R)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 70100630
ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 86193109
ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate
CID 154105831
ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate
CID 118559917
ethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride
CID 23619800
8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 91037658
ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 138398169
ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride
CID 70621572
ethyl 10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-1-carboxylate;hydrochloride
CID 24840076
ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate
CID 13245327
ethyl 3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2-dihydroindol-1-ium-3-carboxylate
CID 173353468
ethyl 4-(4-cyclopropylphenyl)-1-methylpiperidine-4-carboxylate;hydrochloride
CID 3076324

Frequently Asked Questions

What is the IUPAC name of ethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride (CID 3040375) is ethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride is CCOC(=O)C1(c2ccccc2)CC2CCC(C1)N2C.Cl.
What is the InChIKey of ethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride?
The InChIKey is YBLSHXWRVRWYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2.ClH/c1-3-20-16(19)17(13-7-5-4-6-8-13)11-14-9-10-15(12-17)18(14)2;/h4-8,14-15H,3,9-12H2,1-2H3;1H.
What are the key properties of ethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride?
ethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride has a molecular weight of 309.84 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate;hydrochloride is sourced from PubChem (CID 3040375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).