2-(5-bromothiophen-2-yl)-1-(oxan-3-yl)ethanamine

C11H16BrNOS — CID 65332288

IUPAC2-(5-bromothiophen-2-yl)-1-(oxan-3-yl)ethanamine
SMILESNC(Cc1ccc(Br)s1)C1CCCOC1
InChIInChI=1S/C11H16BrNOS/c12-11-4-3-9(15-11)6-10(13)8-2-1-5-14-7-8/h3-4,8,10H,1-2,5-7,13H2
InChIKeyHNSLGUSGTKICAE-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.81
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(oxan-3-yl)ethanamine

2-(5-bromothiophen-2-yl)-1-(oxan-3-yl)ethanamine (PubChem CID 65332288) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(oxan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(oxan-3-yl)ethanamine
PubChem CID65332288
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name2-(5-bromothiophen-2-yl)-1-(oxan-3-yl)ethanamine
SMILESNC(Cc1ccc(Br)s1)C1CCCOC1
InChIInChI=1S/C11H16BrNOS/c12-11-4-3-9(15-11)6-10(13)8-2-1-5-14-7-8/h3-4,8,10H,1-2,5-7,13H2
InChIKeyHNSLGUSGTKICAE-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-(oxan-3-yl)ethanamine
CID 65331805
2-(5-bromo-3-pyridinyl)-1-(oxan-3-yl)ethanamine
CID 104802475
1-(oxan-3-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 65331960
2-(4-tert-butylphenyl)-1-(oxan-3-yl)ethanamine
CID 65331958
2-(5-bromothiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanamine
CID 115841332
2-(4-bromophenyl)-1-(oxolan-3-yl)ethanamine
CID 61276449
2-bromo-5-(3-chloro-2-cyclopentylpropyl)thiophene
CID 112570449
N-[2-(5-bromothiophen-2-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330697
[1-(5-bromothiophen-2-yl)-3-cycloheptylpropan-2-yl]hydrazine
CID 105295656
(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
CID 96636720
2-(5-bromothiophen-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 63250788
(3,5-dibromophenyl)-(oxan-3-yl)methanamine
CID 107978057

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(oxan-3-yl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(oxan-3-yl)ethanamine (CID 65332288) is 2-(5-bromothiophen-2-yl)-1-(oxan-3-yl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(oxan-3-yl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(oxan-3-yl)ethanamine is NC(Cc1ccc(Br)s1)C1CCCOC1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(oxan-3-yl)ethanamine?
The InChIKey is HNSLGUSGTKICAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c12-11-4-3-9(15-11)6-10(13)8-2-1-5-14-7-8/h3-4,8,10H,1-2,5-7,13H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(oxan-3-yl)ethanamine?
2-(5-bromothiophen-2-yl)-1-(oxan-3-yl)ethanamine has a molecular weight of 290.23 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(oxan-3-yl)ethanamine is sourced from PubChem (CID 65332288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).