2-[(4-fluorophenyl)methyl]-7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane

C17H24FNO — CID 131638928

IUPAC2-[(4-fluorophenyl)methyl]-7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane
SMILESCC(C)COC1C2CCC1N(Cc1ccc(F)cc1)C2
InChIInChI=1S/C17H24FNO/c1-12(2)11-20-17-14-5-8-16(17)19(10-14)9-13-3-6-15(18)7-4-13/h3-4,6-7,12,14,16-17H,5,8-11H2,1-2H3
InChIKeyJFCCDCOGIGCUGR-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.46
Rot. Bonds5

About 2-[(4-fluorophenyl)methyl]-7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane

2-[(4-fluorophenyl)methyl]-7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane (PubChem CID 131638928) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane
PubChem CID131638928
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name2-[(4-fluorophenyl)methyl]-7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane
SMILESCC(C)COC1C2CCC1N(Cc1ccc(F)cc1)C2
InChIInChI=1S/C17H24FNO/c1-12(2)11-20-17-14-5-8-16(17)19(10-14)9-13-3-6-15(18)7-4-13/h3-4,6-7,12,14,16-17H,5,8-11H2,1-2H3
InChIKeyJFCCDCOGIGCUGR-UHFFFAOYSA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane (CID 131638928) is 2-[(4-fluorophenyl)methyl]-7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane is CC(C)COC1C2CCC1N(Cc1ccc(F)cc1)C2.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane?
The InChIKey is JFCCDCOGIGCUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-12(2)11-20-17-14-5-8-16(17)19(10-14)9-13-3-6-15(18)7-4-13/h3-4,6-7,12,14,16-17H,5,8-11H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane?
2-[(4-fluorophenyl)methyl]-7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane has a molecular weight of 277.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-7-(2-methylpropoxy)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 131638928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).