[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]methanamine

C14H19FN2 — CID 117050521

IUPAC[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]methanamine
SMILESNCC1CC2CCC1CN2c1ccc(F)cc1
InChIInChI=1S/C14H19FN2/c15-12-2-5-13(6-3-12)17-9-10-1-4-14(17)7-11(10)8-16/h2-3,5-6,10-11,14H,1,4,7-9,16H2
InChIKeyVODUTRZGLOVJSW-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.39
Rot. Bonds2

About [2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]methanamine

[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]methanamine (PubChem CID 117050521) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]methanamine
PubChem CID117050521
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]methanamine
SMILESNCC1CC2CCC1CN2c1ccc(F)cc1
InChIInChI=1S/C14H19FN2/c15-12-2-5-13(6-3-12)17-9-10-1-4-14(17)7-11(10)8-16/h2-3,5-6,10-11,14H,1,4,7-9,16H2
InChIKeyVODUTRZGLOVJSW-UHFFFAOYSA-N
XLogP2.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]oxy]phenyl]methanamine
CID 117050635
[2-(4-fluorophenyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanamine
CID 105475990
[1,2-bis(4-fluorophenyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 70084109
5-(aminomethyl)-2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-ol
CID 117050494
2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-amine
CID 117050368
2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-ol
CID 117050343
(2-ethyl-2-azabicyclo[2.2.2]octan-5-yl)methanamine
CID 117050508
[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]methanamine
CID 55031754
ethyl 2-(2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-yl)acetate
CID 117050421
8-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739948
2-(4-fluorophenyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
CID 105495958
[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanamine
CID 68928221

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]methanamine?
The IUPAC name of [2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]methanamine (CID 117050521) is [2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]methanamine.
What is the SMILES notation for [2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]methanamine?
The canonical SMILES for [2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]methanamine is NCC1CC2CCC1CN2c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]methanamine?
The InChIKey is VODUTRZGLOVJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c15-12-2-5-13(6-3-12)17-9-10-1-4-14(17)7-11(10)8-16/h2-3,5-6,10-11,14H,1,4,7-9,16H2.
What are the key properties of [2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]methanamine?
[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]methanamine has a molecular weight of 234.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]methanamine is sourced from PubChem (CID 117050521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).