2-(5-bromo-2-pyridinyl)-N-methyl-1-(oxan-3-yl)ethanamine

C13H19BrN2O — CID 104802480

IUPAC2-(5-bromo-2-pyridinyl)-N-methyl-1-(oxan-3-yl)ethanamine
SMILESCNC(Cc1ccc(Br)cn1)C1CCCOC1
InChIInChI=1S/C13H19BrN2O/c1-15-13(10-3-2-6-17-9-10)7-12-5-4-11(14)8-16-12/h4-5,8,10,13,15H,2-3,6-7,9H2,1H3
InChIKeyKTONIADOKVGBCJ-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.40
Rot. Bonds4

About 2-(5-bromo-2-pyridinyl)-N-methyl-1-(oxan-3-yl)ethanamine

2-(5-bromo-2-pyridinyl)-N-methyl-1-(oxan-3-yl)ethanamine (PubChem CID 104802480) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-N-methyl-1-(oxan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-N-methyl-1-(oxan-3-yl)ethanamine
PubChem CID104802480
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-(5-bromo-2-pyridinyl)-N-methyl-1-(oxan-3-yl)ethanamine
SMILESCNC(Cc1ccc(Br)cn1)C1CCCOC1
InChIInChI=1S/C13H19BrN2O/c1-15-13(10-3-2-6-17-9-10)7-12-5-4-11(14)8-16-12/h4-5,8,10,13,15H,2-3,6-7,9H2,1H3
InChIKeyKTONIADOKVGBCJ-UHFFFAOYSA-N
XLogP2.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 105181039
2-(5-bromo-2-pyridinyl)-1-(3-ethylcyclopentyl)-N-methylethanamine
CID 113455010
N-methyl-1-(oxolan-3-yl)-2-pyridin-2-ylethanamine
CID 63563236
[2-(5-bromo-2-pyridinyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105229627
2-(5-bromo-2-pyridinyl)-1-cyclohexylethanamine
CID 104801170
2-(4-chlorophenoxy)-N-methyl-1-(oxan-3-yl)ethanamine
CID 107139197
3-(5-bromo-2-pyridinyl)-2-cyclopentylpropan-1-ol
CID 104813220
2-(5-bromo-2-pyridinyl)-1-cyclooctylethanol
CID 104800459
N-[2-(5-bromo-2-pyridinyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 105036459
2-(5-bromo-2-pyridinyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 104802066
[1-(oxan-3-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105229826
1-cyclopropyl-2-(5-fluoro-2-pyridinyl)-N-methylethanamine
CID 63353175

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-N-methyl-1-(oxan-3-yl)ethanamine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-N-methyl-1-(oxan-3-yl)ethanamine (CID 104802480) is 2-(5-bromo-2-pyridinyl)-N-methyl-1-(oxan-3-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-N-methyl-1-(oxan-3-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-N-methyl-1-(oxan-3-yl)ethanamine is CNC(Cc1ccc(Br)cn1)C1CCCOC1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-N-methyl-1-(oxan-3-yl)ethanamine?
The InChIKey is KTONIADOKVGBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-15-13(10-3-2-6-17-9-10)7-12-5-4-11(14)8-16-12/h4-5,8,10,13,15H,2-3,6-7,9H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-N-methyl-1-(oxan-3-yl)ethanamine?
2-(5-bromo-2-pyridinyl)-N-methyl-1-(oxan-3-yl)ethanamine has a molecular weight of 299.21 g/mol, XLogP of 2.40, 4 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-methyl-1-(oxan-3-yl)ethanamine is sourced from PubChem (CID 104802480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).