8-methyl-3-(4-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol

C17H25NO2 — CID 171954809

IUPAC8-methyl-3-(4-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)Oc1ccc(C2(O)CC3CCC(C2)N3C)cc1
InChIInChI=1S/C17H25NO2/c1-12(2)20-16-8-4-13(5-9-16)17(19)10-14-6-7-15(11-17)18(14)3/h4-5,8-9,12,14-15,19H,6-7,10-11H2,1-3H3
InChIKeyUATNONWCPCMJAQ-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.92
Rot. Bonds3

About 8-methyl-3-(4-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol

8-methyl-3-(4-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171954809) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 8-methyl-3-(4-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-methyl-3-(4-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171954809
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name8-methyl-3-(4-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)Oc1ccc(C2(O)CC3CCC(C2)N3C)cc1
InChIInChI=1S/C17H25NO2/c1-12(2)20-16-8-4-13(5-9-16)17(19)10-14-6-7-15(11-17)18(14)3/h4-5,8-9,12,14-15,19H,6-7,10-11H2,1-3H3
InChIKeyUATNONWCPCMJAQ-UHFFFAOYSA-N
XLogP2.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(1,3-dioxolan-2-yl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171963062
(1S,5S)-3-phenyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 98053826
1-propan-2-yl-4-(4-propan-2-yloxyphenyl)piperidin-4-ol
CID 62795744
9H-fluoren-9-ylmethyl 7-hydroxy-7-(4-propan-2-yloxyphenyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171954830
9-methyl-3-(4-prop-1-en-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962081
3-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957753
8-methyl-3-(4-pyridin-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957326
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(4-propan-2-yloxyphenyl)methanone
CID 115997723
3-(2,6-dimethyl-4-pyridinyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171957840
3-(2-fluoro-5-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171961585
3-(4-fluoro-3-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961446
(1R,5S)-8-benzyl-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 13091234

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(4-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-methyl-3-(4-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 171954809) is 8-methyl-3-(4-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-methyl-3-(4-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-methyl-3-(4-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol is CC(C)Oc1ccc(C2(O)CC3CCC(C2)N3C)cc1.
What is the InChIKey of 8-methyl-3-(4-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is UATNONWCPCMJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)20-16-8-4-13(5-9-16)17(19)10-14-6-7-15(11-17)18(14)3/h4-5,8-9,12,14-15,19H,6-7,10-11H2,1-3H3.
What are the key properties of 8-methyl-3-(4-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-methyl-3-(4-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 275.39 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(4-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171954809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).