2-(5-bromo-2-pyridinyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine

C15H21BrN2O — CID 104802183

IUPAC2-(5-bromo-2-pyridinyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
SMILESCCNC(Cc1ccc(Br)cn1)C1CC2CCC1O2
InChIInChI=1S/C15H21BrN2O/c1-2-17-14(7-11-4-3-10(16)9-18-11)13-8-12-5-6-15(13)19-12/h3-4,9,12-15,17H,2,5-8H2,1H3
InChIKeyLUWBGJJOOPGYPU-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.93
Rot. Bonds5

About 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine

2-(5-bromo-2-pyridinyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine (PubChem CID 104802183) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
PubChem CID104802183
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-(5-bromo-2-pyridinyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
SMILESCCNC(Cc1ccc(Br)cn1)C1CC2CCC1O2
InChIInChI=1S/C15H21BrN2O/c1-2-17-14(7-11-4-3-10(16)9-18-11)13-8-12-5-6-15(13)19-12/h3-4,9,12-15,17H,2,5-8H2,1H3
InChIKeyLUWBGJJOOPGYPU-UHFFFAOYSA-N
XLogP2.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine with MolForge

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Related Compounds

2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 104802565
N-ethyl-2-(1-methylimidazol-2-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 79751721
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propylcyclohexyl)ethanamine
CID 104802554
N-[2-(5-bromo-2-pyridinyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107190842
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 115983778
N-ethyl-2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 107049276
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 107884732
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 79825572
1-(5-bromo-2-pyridinyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 103169483
2-(5-bromo-2-pyridinyl)-1-(3-ethylcyclopentyl)-N-methylethanamine
CID 113455010
1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethylpropan-2-amine
CID 104802677
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 104802174

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine (CID 104802183) is 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine is CCNC(Cc1ccc(Br)cn1)C1CC2CCC1O2.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
The InChIKey is LUWBGJJOOPGYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-2-17-14(7-11-4-3-10(16)9-18-11)13-8-12-5-6-15(13)19-12/h3-4,9,12-15,17H,2,5-8H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine?
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine has a molecular weight of 325.25 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine is sourced from PubChem (CID 104802183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).