5-(aminomethyl)-2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-ol

C14H19FN2O — CID 117050494

IUPAC5-(aminomethyl)-2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-ol
SMILESNCC1(O)CC2CCC1CN2c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O/c15-11-2-5-12(6-3-11)17-8-10-1-4-13(17)7-14(10,18)9-16/h2-3,5-6,10,13,18H,1,4,7-9,16H2
InChIKeyBIRMNEBRPWATDQ-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.50
Rot. Bonds2

About 5-(aminomethyl)-2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-ol

5-(aminomethyl)-2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-ol (PubChem CID 117050494) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-ol.

Molecular Properties

Compound Name5-(aminomethyl)-2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-ol
PubChem CID117050494
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name5-(aminomethyl)-2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-ol
SMILESNCC1(O)CC2CCC1CN2c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O/c15-11-2-5-12(6-3-11)17-8-10-1-4-13(17)7-14(10,18)9-16/h2-3,5-6,10,13,18H,1,4,7-9,16H2
InChIKeyBIRMNEBRPWATDQ-UHFFFAOYSA-N
XLogP1.50
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-ol?
The IUPAC name of 5-(aminomethyl)-2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-ol (CID 117050494) is 5-(aminomethyl)-2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-ol.
What is the SMILES notation for 5-(aminomethyl)-2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-ol?
The canonical SMILES for 5-(aminomethyl)-2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-ol is NCC1(O)CC2CCC1CN2c1ccc(F)cc1.
What is the InChIKey of 5-(aminomethyl)-2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-ol?
The InChIKey is BIRMNEBRPWATDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c15-11-2-5-12(6-3-11)17-8-10-1-4-13(17)7-14(10,18)9-16/h2-3,5-6,10,13,18H,1,4,7-9,16H2.
What are the key properties of 5-(aminomethyl)-2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-ol?
5-(aminomethyl)-2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-ol has a molecular weight of 250.32 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-ol is sourced from PubChem (CID 117050494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).