(3,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C17H23NO2 — CID 122255429

IUPAC(3,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCOC1CC2CCC(C1)N2C(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C17H23NO2/c1-11-4-5-13(8-12(11)2)17(19)18-14-6-7-15(18)10-16(9-14)20-3/h4-5,8,14-16H,6-7,9-10H2,1-3H3
InChIKeyGEXZTKHPXNOJBB-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.09
Rot. Bonds2

About (3,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

(3,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 122255429) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID122255429
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(3,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCOC1CC2CCC(C1)N2C(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C17H23NO2/c1-11-4-5-13(8-12(11)2)17(19)18-14-6-7-15(18)10-16(9-14)20-3/h4-5,8,14-16H,6-7,9-10H2,1-3H3
InChIKeyGEXZTKHPXNOJBB-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 122255428
(3,4-dimethylphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195475
[4-(4-fluorophenyl)phenyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 122255284
(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-thiophen-3-ylmethanone
CID 122243172
(3,4-dimethylphenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616508
4-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 122255270
1-(3,4-dimethylphenyl)-4-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)pyrrolidin-2-one
CID 122255272
(4-bromo-3-methylphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 112705964
(3-chloro-4-methylphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 55241627
[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methoxy-3-methylphenyl)methanone
CID 77401889
[3-(2-aminoethoxy)phenyl]-[(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 118777000
(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)-(4-fluoro-3-methylphenyl)methanone
CID 80678510

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (3,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 122255429) is (3,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (3,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is COC1CC2CCC(C1)N2C(=O)c1ccc(C)c(C)c1.
What is the InChIKey of (3,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is GEXZTKHPXNOJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-11-4-5-13(8-12(11)2)17(19)18-14-6-7-15(18)10-16(9-14)20-3/h4-5,8,14-16H,6-7,9-10H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(3,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 122255429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).