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

C13H19BrN2O — CID 114104510

IUPAC2-(5-bromo-3-pyridinyl)-1-(2-ethyloxolan-3-yl)ethanamine
SMILESCCC1OCCC1C(N)Cc1cncc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-2-13-11(3-4-17-13)12(15)6-9-5-10(14)8-16-7-9/h5,7-8,11-13H,2-4,6,15H2,1H3
InChIKeyLNADICLSLJKNLX-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.53
Rot. Bonds4

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

2-(5-bromo-3-pyridinyl)-1-(2-ethyloxolan-3-yl)ethanamine (PubChem CID 114104510) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(2-ethyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(2-ethyloxolan-3-yl)ethanamine
PubChem CID114104510
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(2-ethyloxolan-3-yl)ethanamine
SMILESCCC1OCCC1C(N)Cc1cncc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-2-13-11(3-4-17-13)12(15)6-9-5-10(14)8-16-7-9/h5,7-8,11-13H,2-4,6,15H2,1H3
InChIKeyLNADICLSLJKNLX-UHFFFAOYSA-N
XLogP2.53
TPSA48.14 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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopentyl)ethanamine
CID 107190850
2-(5-bromo-3-pyridinyl)-1-(oxan-3-yl)ethanamine
CID 104802475
1-(5-bromo-3-pyridinyl)-3-(1,3-dioxolan-2-yl)propan-2-amine
CID 103544159
2-(5-bromo-3-pyridinyl)-1-(3-methyloxolan-2-yl)ethanol
CID 115833496
2-(2,5-difluorophenyl)-1-(2-ethyloxolan-3-yl)ethanamine
CID 114104181
1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine
CID 105036917
1-(5-bromo-3-pyridinyl)-N-ethyl-3-(oxan-2-yl)propan-2-amine
CID 104804014
2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 115649533
3-(5-bromo-3-pyridinyl)-1-cyclopentylpropan-1-amine
CID 104800164
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
[2-(5-bromo-3-pyridinyl)-1-(3-ethylcyclopentyl)ethyl]hydrazine
CID 105233400

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(2-ethyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(2-ethyloxolan-3-yl)ethanamine (CID 114104510) is 2-(5-bromo-3-pyridinyl)-1-(2-ethyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(2-ethyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(2-ethyloxolan-3-yl)ethanamine is CCC1OCCC1C(N)Cc1cncc(Br)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(2-ethyloxolan-3-yl)ethanamine?
The InChIKey is LNADICLSLJKNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-2-13-11(3-4-17-13)12(15)6-9-5-10(14)8-16-7-9/h5,7-8,11-13H,2-4,6,15H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(2-ethyloxolan-3-yl)ethanamine?
2-(5-bromo-3-pyridinyl)-1-(2-ethyloxolan-3-yl)ethanamine has a molecular weight of 299.21 g/mol, XLogP of 2.53, 4 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-(2-ethyloxolan-3-yl)ethanamine is sourced from PubChem (CID 114104510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).