8-methyl-3-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-ol

C16H23NO2 — CID 171961165

IUPAC8-methyl-3-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(CCOc1ccccc1)C2
InChIInChI=1S/C16H23NO2/c1-17-13-7-8-14(17)12-16(18,11-13)9-10-19-15-5-3-2-4-6-15/h2-6,13-14,18H,7-12H2,1H3
InChIKeyWNRYKEQSYLXIGP-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.44
Rot. Bonds4

About 8-methyl-3-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-ol

8-methyl-3-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171961165) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 8-methyl-3-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-methyl-3-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171961165
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name8-methyl-3-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCN1C2CCC1CC(O)(CCOc1ccccc1)C2
InChIInChI=1S/C16H23NO2/c1-17-13-7-8-14(17)12-16(18,11-13)9-10-19-15-5-3-2-4-6-15/h2-6,13-14,18H,7-12H2,1H3
InChIKeyWNRYKEQSYLXIGP-UHFFFAOYSA-N
XLogP2.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-methyl-3-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 171961165) is 8-methyl-3-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-methyl-3-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-methyl-3-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-ol is CN1C2CCC1CC(O)(CCOc1ccccc1)C2.
What is the InChIKey of 8-methyl-3-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is WNRYKEQSYLXIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-17-13-7-8-14(17)12-16(18,11-13)9-10-19-15-5-3-2-4-6-15/h2-6,13-14,18H,7-12H2,1H3.
What are the key properties of 8-methyl-3-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-methyl-3-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 261.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(2-phenoxyethyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171961165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).