(1R,5R,6S)-5-(2-fluorophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-6-ol

C15H20FNO — CID 25179499

IUPAC(1R,5R,6S)-5-(2-fluorophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-6-ol
SMILESCN1CC[C@]2(c3ccccc3F)C[C@H]1CC[C@@H]2O
InChIInChI=1S/C15H20FNO/c1-17-9-8-15(10-11(17)6-7-14(15)18)12-4-2-3-5-13(12)16/h2-5,11,14,18H,6-10H2,1H3/t11-,14+,15-/m1/s1
InChIKeyQEXSOHIVLOJEIA-BYCMXARLSA-N
MW249.33 g/mol
LogP2.31
Rot. Bonds1

About (1R,5R,6S)-5-(2-fluorophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-6-ol

(1R,5R,6S)-5-(2-fluorophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-6-ol (PubChem CID 25179499) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is (1R,5R,6S)-5-(2-fluorophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-6-ol.

Molecular Properties

Compound Name(1R,5R,6S)-5-(2-fluorophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-6-ol
PubChem CID25179499
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name(1R,5R,6S)-5-(2-fluorophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-6-ol
SMILESCN1CC[C@]2(c3ccccc3F)C[C@H]1CC[C@@H]2O
InChIInChI=1S/C15H20FNO/c1-17-9-8-15(10-11(17)6-7-14(15)18)12-4-2-3-5-13(12)16/h2-5,11,14,18H,6-10H2,1H3/t11-,14+,15-/m1/s1
InChIKeyQEXSOHIVLOJEIA-BYCMXARLSA-N
XLogP2.31
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,6S)-5-(2-fluorophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-6-ol?
The IUPAC name of (1R,5R,6S)-5-(2-fluorophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-6-ol (CID 25179499) is (1R,5R,6S)-5-(2-fluorophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-6-ol.
What is the SMILES notation for (1R,5R,6S)-5-(2-fluorophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-6-ol?
The canonical SMILES for (1R,5R,6S)-5-(2-fluorophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-6-ol is CN1CC[C@]2(c3ccccc3F)C[C@H]1CC[C@@H]2O.
What is the InChIKey of (1R,5R,6S)-5-(2-fluorophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-6-ol?
The InChIKey is QEXSOHIVLOJEIA-BYCMXARLSA-N. The full InChI is InChI=1S/C15H20FNO/c1-17-9-8-15(10-11(17)6-7-14(15)18)12-4-2-3-5-13(12)16/h2-5,11,14,18H,6-10H2,1H3/t11-,14+,15-/m1/s1.
What are the key properties of (1R,5R,6S)-5-(2-fluorophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-6-ol?
(1R,5R,6S)-5-(2-fluorophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-6-ol has a molecular weight of 249.33 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6S)-5-(2-fluorophenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-6-ol is sourced from PubChem (CID 25179499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).