2-(4-bromothiophen-2-yl)-2-(butan-2-ylamino)ethanol

C10H16BrNOS — CID 61348164

IUPAC2-(4-bromothiophen-2-yl)-2-(butan-2-ylamino)ethanol
SMILESCCC(C)NC(CO)c1cc(Br)cs1
InChIInChI=1S/C10H16BrNOS/c1-3-7(2)12-9(5-13)10-4-8(11)6-14-10/h4,6-7,9,12-13H,3,5H2,1-2H3
InChIKeyZBTUKZMLGUGXSC-UHFFFAOYSA-N
MW278.22 g/mol
LogP2.93
Rot. Bonds5

About 2-(4-bromothiophen-2-yl)-2-(butan-2-ylamino)ethanol

2-(4-bromothiophen-2-yl)-2-(butan-2-ylamino)ethanol (PubChem CID 61348164) has the molecular formula C10H16BrNOS and a molecular weight of 278.22 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-2-(butan-2-ylamino)ethanol.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-2-(butan-2-ylamino)ethanol
PubChem CID61348164
Molecular FormulaC10H16BrNOS
Molecular Weight278.22 g/mol
Exact Mass277.01
IUPAC Name2-(4-bromothiophen-2-yl)-2-(butan-2-ylamino)ethanol
SMILESCCC(C)NC(CO)c1cc(Br)cs1
InChIInChI=1S/C10H16BrNOS/c1-3-7(2)12-9(5-13)10-4-8(11)6-14-10/h4,6-7,9,12-13H,3,5H2,1-2H3
InChIKeyZBTUKZMLGUGXSC-UHFFFAOYSA-N
XLogP2.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol
CID 124626932
2-[1-(4-bromothiophen-2-yl)ethylamino]-2-phenylethanol
CID 107167453
2-(4-bromothiophen-2-yl)-2-(cyclopropylamino)ethanol
CID 61346029
3-[1-(4-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 107167468
2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol
CID 116857267
4-bromo-2-pentan-3-ylthiophene
CID 82390181
[1-(4-bromothiophen-2-yl)-3-ethylpentyl]hydrazine
CID 105222639
2-(5-bromo-2-methoxyphenyl)-2-(butan-2-ylamino)ethanol
CID 61050211
3-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol
CID 107167314
1-(4-bromothiophen-2-yl)butylhydrazine
CID 105222377
1-(4-bromothiophen-2-yl)ethanol
CID 12792392
[1-(4-bromothiophen-2-yl)-3-methylhexyl]hydrazine
CID 105222482

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-2-(butan-2-ylamino)ethanol?
The IUPAC name of 2-(4-bromothiophen-2-yl)-2-(butan-2-ylamino)ethanol (CID 61348164) is 2-(4-bromothiophen-2-yl)-2-(butan-2-ylamino)ethanol.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-2-(butan-2-ylamino)ethanol?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-2-(butan-2-ylamino)ethanol is CCC(C)NC(CO)c1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-2-(butan-2-ylamino)ethanol?
The InChIKey is ZBTUKZMLGUGXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-3-7(2)12-9(5-13)10-4-8(11)6-14-10/h4,6-7,9,12-13H,3,5H2,1-2H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-2-(butan-2-ylamino)ethanol?
2-(4-bromothiophen-2-yl)-2-(butan-2-ylamino)ethanol has a molecular weight of 278.22 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-2-(butan-2-ylamino)ethanol is sourced from PubChem (CID 61348164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).