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

C20H23FN2O — CID 117050635

IUPAC[4-[[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]oxy]phenyl]methanamine
SMILESNCc1ccc(OC2CC3CCC2CN3c2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O/c21-16-4-7-17(8-5-16)23-13-15-3-6-18(23)11-20(15)24-19-9-1-14(12-22)2-10-19/h1-2,4-5,7-10,15,18,20H,3,6,11-13,22H2
InChIKeyRHCYEKXZYBLJMS-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.72
Rot. Bonds4

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

[4-[[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]oxy]phenyl]methanamine (PubChem CID 117050635) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is [4-[[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]oxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]oxy]phenyl]methanamine
PubChem CID117050635
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name[4-[[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]oxy]phenyl]methanamine
SMILESNCc1ccc(OC2CC3CCC2CN3c2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O/c21-16-4-7-17(8-5-16)23-13-15-3-6-18(23)11-20(15)24-19-9-1-14(12-22)2-10-19/h1-2,4-5,7-10,15,18,20H,3,6,11-13,22H2
InChIKeyRHCYEKXZYBLJMS-UHFFFAOYSA-N
XLogP3.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]oxy]phenyl]methanamine with MolForge

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Related Compounds

[4-[[6-(3-fluorophenyl)-6-azabicyclo[3.2.1]octan-2-yl]oxy]phenyl]methanamine
CID 117050955
[4-[(2-methyl-2-azabicyclo[2.2.2]octan-5-yl)oxy]phenyl]methanamine
CID 117050624
[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]methanamine
CID 117050521
[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]methanamine
CID 55031754
4-[(2-ethyl-2-azabicyclo[2.2.2]octan-5-yl)oxy]aniline
CID 117050600
[4-(4-fluorophenoxy)phenyl]methanamine;hydrochloride
CID 10308088
5-(aminomethyl)-2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-ol
CID 117050494
[2-(4-fluorophenyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanamine
CID 105475990
ethyl 5-(4-aminophenoxy)-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 117050606
cyclopentanamine;(4-fluorophenyl)methanamine
CID 70105536
3-[4-(aminomethyl)phenoxy]-N,N-dimethylbicyclo[2.2.1]heptan-2-amine
CID 82037329
[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
CID 117052585

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]oxy]phenyl]methanamine?
The IUPAC name of [4-[[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]oxy]phenyl]methanamine (CID 117050635) is [4-[[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]oxy]phenyl]methanamine.
What is the SMILES notation for [4-[[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]oxy]phenyl]methanamine?
The canonical SMILES for [4-[[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]oxy]phenyl]methanamine is NCc1ccc(OC2CC3CCC2CN3c2ccc(F)cc2)cc1.
What is the InChIKey of [4-[[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]oxy]phenyl]methanamine?
The InChIKey is RHCYEKXZYBLJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c21-16-4-7-17(8-5-16)23-13-15-3-6-18(23)11-20(15)24-19-9-1-14(12-22)2-10-19/h1-2,4-5,7-10,15,18,20H,3,6,11-13,22H2.
What are the key properties of [4-[[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]oxy]phenyl]methanamine?
[4-[[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]oxy]phenyl]methanamine has a molecular weight of 326.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-fluorophenyl)-2-azabicyclo[2.2.2]octan-5-yl]oxy]phenyl]methanamine is sourced from PubChem (CID 117050635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).