3-(2,6-dimethoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene

C17H23NO2 — CID 171975182

IUPAC3-(2,6-dimethoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene
SMILESCOc1cccc(OC)c1C1=CC2CCCC(C1)N2C
InChIInChI=1S/C17H23NO2/c1-18-13-6-4-7-14(18)11-12(10-13)17-15(19-2)8-5-9-16(17)20-3/h5,8-10,13-14H,4,6-7,11H2,1-3H3
InChIKeyGQWXWBCSPBGRKB-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.34
Rot. Bonds3

About 3-(2,6-dimethoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene

3-(2,6-dimethoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene (PubChem CID 171975182) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(2,6-dimethoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene.

Molecular Properties

Compound Name3-(2,6-dimethoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene
PubChem CID171975182
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-(2,6-dimethoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene
SMILESCOc1cccc(OC)c1C1=CC2CCCC(C1)N2C
InChIInChI=1S/C17H23NO2/c1-18-13-6-4-7-14(18)11-12(10-13)17-15(19-2)8-5-9-16(17)20-3/h5,8-10,13-14H,4,6-7,11H2,1-3H3
InChIKeyGQWXWBCSPBGRKB-UHFFFAOYSA-N
XLogP3.34
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2,6-di(propan-2-yl)phenyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene
CID 171973555
3-[2-methoxy-4-(trifluoromethyl)phenyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene
CID 171973438
3-[3-methoxy-5-(trifluoromethyl)phenyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene
CID 171973439
3,9-dimethyl-9-azabicyclo[3.3.1]non-2-ene
CID 138582721
tert-butyl 3-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzoate
CID 171972602
9-[4-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]carbazole
CID 171967830
3-[3-fluoro-4-(trifluoromethoxy)phenyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene
CID 171973454
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene
CID 171974636
9-methyl-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)-9-azabicyclo[3.3.1]non-2-ene
CID 171974487
3-[[3-(difluoromethoxy)phenyl]methyl]-9-methyl-9-azabicyclo[3.3.1]non-2-ene
CID 171973802
(2,6-dimethoxyphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171941073
3-(2,3-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]oct-2-ene
CID 11956046

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene?
The IUPAC name of 3-(2,6-dimethoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene (CID 171975182) is 3-(2,6-dimethoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene.
What is the SMILES notation for 3-(2,6-dimethoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene?
The canonical SMILES for 3-(2,6-dimethoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene is COc1cccc(OC)c1C1=CC2CCCC(C1)N2C.
What is the InChIKey of 3-(2,6-dimethoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene?
The InChIKey is GQWXWBCSPBGRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-18-13-6-4-7-14(18)11-12(10-13)17-15(19-2)8-5-9-16(17)20-3/h5,8-10,13-14H,4,6-7,11H2,1-3H3.
What are the key properties of 3-(2,6-dimethoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene?
3-(2,6-dimethoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene has a molecular weight of 273.38 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene is sourced from PubChem (CID 171975182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).