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

C12H17BrN2O — CID 104802475

IUPAC2-(5-bromo-3-pyridinyl)-1-(oxan-3-yl)ethanamine
SMILESNC(Cc1cncc(Br)c1)C1CCCOC1
InChIInChI=1S/C12H17BrN2O/c13-11-4-9(6-15-7-11)5-12(14)10-2-1-3-16-8-10/h4,6-7,10,12H,1-3,5,8,14H2
InChIKeyLAPUVVRWROCOCD-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.14
Rot. Bonds3

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

2-(5-bromo-3-pyridinyl)-1-(oxan-3-yl)ethanamine (PubChem CID 104802475) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(oxan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(oxan-3-yl)ethanamine
PubChem CID104802475
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(oxan-3-yl)ethanamine
SMILESNC(Cc1cncc(Br)c1)C1CCCOC1
InChIInChI=1S/C12H17BrN2O/c13-11-4-9(6-15-7-11)5-12(14)10-2-1-3-16-8-10/h4,6-7,10,12H,1-3,5,8,14H2
InChIKeyLAPUVVRWROCOCD-UHFFFAOYSA-N
XLogP2.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(2-ethyloxolan-3-yl)ethanamine
CID 114104510
2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopentyl)ethanamine
CID 107190850
3-(5-bromo-3-pyridinyl)-1-cyclopentylpropan-1-amine
CID 104800164
2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol
CID 104800221
2-(5-bromothiophen-2-yl)-1-(oxan-3-yl)ethanamine
CID 65332288
2-(4-tert-butylphenyl)-1-(oxan-3-yl)ethanamine
CID 65331958
1-(oxan-3-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 65331960
1-(5-bromo-3-pyridinyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107136699
2-(4-bromophenyl)-1-(oxolan-3-yl)ethanamine
CID 61276449
2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine
CID 104801480
2-(5-bromo-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 104802640
1-(5-bromo-3-pyridinyl)-3-(1,3-dioxolan-2-yl)propan-2-amine
CID 103544159

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(oxan-3-yl)ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(oxan-3-yl)ethanamine (CID 104802475) is 2-(5-bromo-3-pyridinyl)-1-(oxan-3-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(oxan-3-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(oxan-3-yl)ethanamine is NC(Cc1cncc(Br)c1)C1CCCOC1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(oxan-3-yl)ethanamine?
The InChIKey is LAPUVVRWROCOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c13-11-4-9(6-15-7-11)5-12(14)10-2-1-3-16-8-10/h4,6-7,10,12H,1-3,5,8,14H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(oxan-3-yl)ethanamine?
2-(5-bromo-3-pyridinyl)-1-(oxan-3-yl)ethanamine has a molecular weight of 285.19 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(oxan-3-yl)ethanamine is sourced from PubChem (CID 104802475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).