3-[(3-fluoro-4-methylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol

C17H24FNO — CID 171962228

IUPAC3-[(3-fluoro-4-methylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCc1ccc(CC2(O)CC3CCCC(C2)N3C)cc1F
InChIInChI=1S/C17H24FNO/c1-12-6-7-13(8-16(12)18)9-17(20)10-14-4-3-5-15(11-17)19(14)2/h6-8,14-15,20H,3-5,9-11H2,1-2H3
InChIKeyYIDSACOTSUVABD-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.05
Rot. Bonds2

About 3-[(3-fluoro-4-methylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol

3-[(3-fluoro-4-methylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171962228) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-[(3-fluoro-4-methylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171962228
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name3-[(3-fluoro-4-methylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCc1ccc(CC2(O)CC3CCCC(C2)N3C)cc1F
InChIInChI=1S/C17H24FNO/c1-12-6-7-13(8-16(12)18)9-17(20)10-14-4-3-5-15(11-17)19(14)2/h6-8,14-15,20H,3-5,9-11H2,1-2H3
InChIKeyYIDSACOTSUVABD-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-[(3-fluoro-4-methylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol (CID 171962228) is 3-[(3-fluoro-4-methylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-[(3-fluoro-4-methylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-[(3-fluoro-4-methylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol is Cc1ccc(CC2(O)CC3CCCC(C2)N3C)cc1F.
What is the InChIKey of 3-[(3-fluoro-4-methylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is YIDSACOTSUVABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-12-6-7-13(8-16(12)18)9-17(20)10-14-4-3-5-15(11-17)19(14)2/h6-8,14-15,20H,3-5,9-11H2,1-2H3.
What are the key properties of 3-[(3-fluoro-4-methylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
3-[(3-fluoro-4-methylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 277.38 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methylphenyl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171962228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).