3-(4-methoxy-2,5-dimethylphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

C17H25NO2 — CID 171954908

IUPAC3-(4-methoxy-2,5-dimethylphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOc1cc(C)c(C2(O)CC3CCC(C2)N3C)cc1C
InChIInChI=1S/C17H25NO2/c1-11-8-16(20-4)12(2)7-15(11)17(19)9-13-5-6-14(10-17)18(13)3/h7-8,13-14,19H,5-6,9-10H2,1-4H3
InChIKeyRDRRGOXKVQXXMW-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.76
Rot. Bonds2

About 3-(4-methoxy-2,5-dimethylphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

3-(4-methoxy-2,5-dimethylphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171954908) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-(4-methoxy-2,5-dimethylphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(4-methoxy-2,5-dimethylphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171954908
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-(4-methoxy-2,5-dimethylphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOc1cc(C)c(C2(O)CC3CCC(C2)N3C)cc1C
InChIInChI=1S/C17H25NO2/c1-11-8-16(20-4)12(2)7-15(11)17(19)9-13-5-6-14(10-17)18(13)3/h7-8,13-14,19H,5-6,9-10H2,1-4H3
InChIKeyRDRRGOXKVQXXMW-UHFFFAOYSA-N
XLogP2.76
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)-3-propan-2-ylcyclobutan-1-ol
CID 103564078
3-(4-methoxy-2,5-dimethylphenyl)-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171954916
3-(4-methoxy-2,5-dimethylphenyl)-9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171954925
9-methyl-7-(2,4,5-trimethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171962017
8-methyl-3-[2-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171963930
3-(2-fluoro-5-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171961585
8-methyl-3-(2,3,5-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962490
9-methyl-3-[2-methyl-5-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171963965
3-(4-fluoro-3-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961446
3-(2,6-dimethyl-4-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171957840
8-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(2-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 46966276
2-(4,5-dimethoxy-2-methylphenyl)-1,2,4-trimethylazetidine
CID 123959418

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2,5-dimethylphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(4-methoxy-2,5-dimethylphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (CID 171954908) is 3-(4-methoxy-2,5-dimethylphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(4-methoxy-2,5-dimethylphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(4-methoxy-2,5-dimethylphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is COc1cc(C)c(C2(O)CC3CCC(C2)N3C)cc1C.
What is the InChIKey of 3-(4-methoxy-2,5-dimethylphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is RDRRGOXKVQXXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-11-8-16(20-4)12(2)7-15(11)17(19)9-13-5-6-14(10-17)18(13)3/h7-8,13-14,19H,5-6,9-10H2,1-4H3.
What are the key properties of 3-(4-methoxy-2,5-dimethylphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
3-(4-methoxy-2,5-dimethylphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 275.39 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2,5-dimethylphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171954908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).