N-(2-ethoxy-4-fluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine

C15H21FN2O — CID 43730192

IUPACN-(2-ethoxy-4-fluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCOc1cc(F)ccc1NC1CN2CCC1CC2
InChIInChI=1S/C15H21FN2O/c1-2-19-15-9-12(16)3-4-13(15)17-14-10-18-7-5-11(14)6-8-18/h3-4,9,11,14,17H,2,5-8,10H2,1H3
InChIKeyMWTLXQBBQTWXCZ-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.73
Rot. Bonds4

About N-(2-ethoxy-4-fluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine

N-(2-ethoxy-4-fluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 43730192) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is N-(2-ethoxy-4-fluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(2-ethoxy-4-fluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID43730192
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC NameN-(2-ethoxy-4-fluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCOc1cc(F)ccc1NC1CN2CCC1CC2
InChIInChI=1S/C15H21FN2O/c1-2-19-15-9-12(16)3-4-13(15)17-14-10-18-7-5-11(14)6-8-18/h3-4,9,11,14,17H,2,5-8,10H2,1H3
InChIKeyMWTLXQBBQTWXCZ-UHFFFAOYSA-N
XLogP2.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-fluorobenzene-1,2-diamine
CID 43115487
N-(4-ethoxy-2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 60936279
N-(2-ethoxy-4-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43730175
N-(3-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 60934608
N-(2-ethoxy-4-fluorophenyl)-1-ethylazepan-4-amine
CID 65074721
N-(4-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121545
2-ethoxy-4-fluoro-N-(2-methylsulfonylcyclopentyl)aniline
CID 65044191
N-(2-ethoxy-4-fluorophenyl)-1-oxothian-4-amine
CID 54981381
N-(2-ethoxy-4-fluorophenyl)-1,1-dioxothian-4-amine
CID 43730186
N-(5-chloro-2-ethoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364394
N-(3-bromo-5-chloro-2-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43690803
N-(2,4,5-trifluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 55210890

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4-fluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(2-ethoxy-4-fluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 43730192) is N-(2-ethoxy-4-fluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(2-ethoxy-4-fluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(2-ethoxy-4-fluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine is CCOc1cc(F)ccc1NC1CN2CCC1CC2.
What is the InChIKey of N-(2-ethoxy-4-fluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is MWTLXQBBQTWXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-2-19-15-9-12(16)3-4-13(15)17-14-10-18-7-5-11(14)6-8-18/h3-4,9,11,14,17H,2,5-8,10H2,1H3.
What are the key properties of N-(2-ethoxy-4-fluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(2-ethoxy-4-fluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 264.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4-fluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 43730192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).