1-(5-bromothiophen-3-yl)-2-(oxan-4-yl)ethanamine

C11H16BrNOS — CID 105138713

IUPAC1-(5-bromothiophen-3-yl)-2-(oxan-4-yl)ethanamine
SMILESNC(CC1CCOCC1)c1csc(Br)c1
InChIInChI=1S/C11H16BrNOS/c12-11-6-9(7-15-11)10(13)5-8-1-3-14-4-2-8/h6-8,10H,1-5,13H2
InChIKeyYHSZDFUWOVMPRQ-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.33
Rot. Bonds3

About 1-(5-bromothiophen-3-yl)-2-(oxan-4-yl)ethanamine

1-(5-bromothiophen-3-yl)-2-(oxan-4-yl)ethanamine (PubChem CID 105138713) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-2-(oxan-4-yl)ethanamine
PubChem CID105138713
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name1-(5-bromothiophen-3-yl)-2-(oxan-4-yl)ethanamine
SMILESNC(CC1CCOCC1)c1csc(Br)c1
InChIInChI=1S/C11H16BrNOS/c12-11-6-9(7-15-11)10(13)5-8-1-3-14-4-2-8/h6-8,10H,1-5,13H2
InChIKeyYHSZDFUWOVMPRQ-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-3-yl)-2-cyclobutylethanamine
CID 105151667
1-(5-bromothiophen-3-yl)-2-(3,3-difluorocyclohexyl)ethanamine
CID 114225848
2-cyclopentyl-1-(5-iodothiophen-3-yl)ethanamine
CID 115847501
2-cyclopropyl-1-(5-methylthiophen-3-yl)ethanamine
CID 55294440
(R)-(5-bromothiophen-3-yl)-cyclopropylmethanamine
CID 130714035
N-[(5-bromothiophen-3-yl)-(oxan-4-yl)methyl]ethanamine
CID 105147150
1-(4-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine
CID 115847041
1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yl)ethanamine
CID 115846820
1-(5-fluoro-3-pyridinyl)-2-(oxan-4-yl)ethanamine
CID 105138825
1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131637584
1-(4-bromo-2-fluorophenyl)-2-(oxan-4-yl)ethanamine
CID 114905994
1-(3-fluoro-4-methylphenyl)-2-(oxan-4-yl)ethanamine
CID 62601835

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-2-(oxan-4-yl)ethanamine (CID 105138713) is 1-(5-bromothiophen-3-yl)-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-2-(oxan-4-yl)ethanamine is NC(CC1CCOCC1)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-2-(oxan-4-yl)ethanamine?
The InChIKey is YHSZDFUWOVMPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c12-11-6-9(7-15-11)10(13)5-8-1-3-14-4-2-8/h6-8,10H,1-5,13H2.
What are the key properties of 1-(5-bromothiophen-3-yl)-2-(oxan-4-yl)ethanamine?
1-(5-bromothiophen-3-yl)-2-(oxan-4-yl)ethanamine has a molecular weight of 290.23 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 105138713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).