2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol

C8H12BrNOS — CID 116857267

IUPAC2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol
SMILESCN(C)C(CO)c1cc(Br)cs1
InChIInChI=1S/C8H12BrNOS/c1-10(2)7(4-11)8-3-6(9)5-12-8/h3,5,7,11H,4H2,1-2H3
InChIKeyONZHRTVCPGQKGT-UHFFFAOYSA-N
MW250.16 g/mol
LogP2.11
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol

2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol (PubChem CID 116857267) has the molecular formula C8H12BrNOS and a molecular weight of 250.16 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol
PubChem CID116857267
Molecular FormulaC8H12BrNOS
Molecular Weight250.16 g/mol
Exact Mass248.98
IUPAC Name2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol
SMILESCN(C)C(CO)c1cc(Br)cs1
InChIInChI=1S/C8H12BrNOS/c1-10(2)7(4-11)8-3-6(9)5-12-8/h3,5,7,11H,4H2,1-2H3
InChIKeyONZHRTVCPGQKGT-UHFFFAOYSA-N
XLogP2.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromothiophen-2-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine
CID 116905818
1-(4-bromothiophen-2-yl)-N,N-dimethylbutane-1,4-diamine
CID 116905160
(2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol
CID 124626932
3-[1-(4-bromothiophen-2-yl)ethylamino]-2-methylpropan-1-ol
CID 107167314
2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetic acid
CID 54595909
1-(4-bromothiophen-2-yl)-N,N,2,2-tetramethylbutane-1,4-diamine
CID 116905682
2-(4-bromothiophen-2-yl)-2-(butan-2-ylamino)ethanol
CID 61348164
2,3-diamino-3-(4-bromothiophen-2-yl)propan-1-ol
CID 116942398
[3-[(4-bromothiophen-2-yl)-(dimethylamino)methyl]oxetan-3-yl]methanol
CID 116912982
1-(4-bromothiophen-2-yl)ethanol
CID 12792392
ethyl 2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetate
CID 116914263
2-(4-bromothiophen-2-yl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 83010765

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol?
The IUPAC name of 2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol (CID 116857267) is 2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol is CN(C)C(CO)c1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol?
The InChIKey is ONZHRTVCPGQKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNOS/c1-10(2)7(4-11)8-3-6(9)5-12-8/h3,5,7,11H,4H2,1-2H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol?
2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol has a molecular weight of 250.16 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-2-(dimethylamino)ethanol is sourced from PubChem (CID 116857267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).