(1R,5S)-8-methyl-3-phenoxy-8-azabicyclo[3.2.1]octane

C14H19NO — CID 21116177

IUPAC(1R,5S)-8-methyl-3-phenoxy-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CC[C@H]1CC(Oc1ccccc1)C2
InChIInChI=1S/C14H19NO/c1-15-11-7-8-12(15)10-14(9-11)16-13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3/t11-,12+,14?
InChIKeySYNKGZURWSKSDC-ONXXMXGDSA-N
MW217.31 g/mol
LogP2.69
Rot. Bonds2

About (1R,5S)-8-methyl-3-phenoxy-8-azabicyclo[3.2.1]octane

(1R,5S)-8-methyl-3-phenoxy-8-azabicyclo[3.2.1]octane (PubChem CID 21116177) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (1R,5S)-8-methyl-3-phenoxy-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-8-methyl-3-phenoxy-8-azabicyclo[3.2.1]octane
PubChem CID21116177
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(1R,5S)-8-methyl-3-phenoxy-8-azabicyclo[3.2.1]octane
SMILESCN1[C@@H]2CC[C@H]1CC(Oc1ccccc1)C2
InChIInChI=1S/C14H19NO/c1-15-11-7-8-12(15)10-14(9-11)16-13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3/t11-,12+,14?
InChIKeySYNKGZURWSKSDC-ONXXMXGDSA-N
XLogP2.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-methyl-3-phenoxy-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-8-methyl-3-phenoxy-8-azabicyclo[3.2.1]octane (CID 21116177) is (1R,5S)-8-methyl-3-phenoxy-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-8-methyl-3-phenoxy-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-8-methyl-3-phenoxy-8-azabicyclo[3.2.1]octane is CN1[C@@H]2CC[C@H]1CC(Oc1ccccc1)C2.
What is the InChIKey of (1R,5S)-8-methyl-3-phenoxy-8-azabicyclo[3.2.1]octane?
The InChIKey is SYNKGZURWSKSDC-ONXXMXGDSA-N. The full InChI is InChI=1S/C14H19NO/c1-15-11-7-8-12(15)10-14(9-11)16-13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3/t11-,12+,14?.
What are the key properties of (1R,5S)-8-methyl-3-phenoxy-8-azabicyclo[3.2.1]octane?
(1R,5S)-8-methyl-3-phenoxy-8-azabicyclo[3.2.1]octane has a molecular weight of 217.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-methyl-3-phenoxy-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 21116177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).