2-(3-bromothiophen-2-yl)-2-[2-(dimethylamino)ethylamino]ethanol

C10H17BrN2OS — CID 115381058

IUPAC2-(3-bromothiophen-2-yl)-2-[2-(dimethylamino)ethylamino]ethanol
SMILESCN(C)CCNC(CO)c1sccc1Br
InChIInChI=1S/C10H17BrN2OS/c1-13(2)5-4-12-9(7-14)10-8(11)3-6-15-10/h3,6,9,12,14H,4-5,7H2,1-2H3
InChIKeyDZIYIXJSJRHXBV-UHFFFAOYSA-N
MW293.23 g/mol
LogP1.70
Rot. Bonds6

About 2-(3-bromothiophen-2-yl)-2-[2-(dimethylamino)ethylamino]ethanol

2-(3-bromothiophen-2-yl)-2-[2-(dimethylamino)ethylamino]ethanol (PubChem CID 115381058) has the molecular formula C10H17BrN2OS and a molecular weight of 293.23 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-2-[2-(dimethylamino)ethylamino]ethanol.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-2-[2-(dimethylamino)ethylamino]ethanol
PubChem CID115381058
Molecular FormulaC10H17BrN2OS
Molecular Weight293.23 g/mol
Exact Mass292.02
IUPAC Name2-(3-bromothiophen-2-yl)-2-[2-(dimethylamino)ethylamino]ethanol
SMILESCN(C)CCNC(CO)c1sccc1Br
InChIInChI=1S/C10H17BrN2OS/c1-13(2)5-4-12-9(7-14)10-8(11)3-6-15-10/h3,6,9,12,14H,4-5,7H2,1-2H3
InChIKeyDZIYIXJSJRHXBV-UHFFFAOYSA-N
XLogP1.70
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 66480263
2-(3-bromothiophen-2-yl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 83011912
2-(2-bromo-4,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 61056542
2-(3,5-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 61056763
2-(3-bromothiophen-2-yl)-2-(2-methoxyanilino)ethanol
CID 113298240
N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115847708
1-(3-bromothiophen-2-yl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039383
2-(2,6-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 61054329
2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-methylphenyl)ethanol
CID 55245379
1-(3-bromothiophen-2-yl)-N-propylbut-3-yn-1-amine
CID 114977322
1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105023982
2-[2-(dimethylamino)ethylamino]-2-(3-methylthiophen-2-yl)acetamide
CID 61347921

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-2-[2-(dimethylamino)ethylamino]ethanol?
The IUPAC name of 2-(3-bromothiophen-2-yl)-2-[2-(dimethylamino)ethylamino]ethanol (CID 115381058) is 2-(3-bromothiophen-2-yl)-2-[2-(dimethylamino)ethylamino]ethanol.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-2-[2-(dimethylamino)ethylamino]ethanol?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-2-[2-(dimethylamino)ethylamino]ethanol is CN(C)CCNC(CO)c1sccc1Br.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-2-[2-(dimethylamino)ethylamino]ethanol?
The InChIKey is DZIYIXJSJRHXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2OS/c1-13(2)5-4-12-9(7-14)10-8(11)3-6-15-10/h3,6,9,12,14H,4-5,7H2,1-2H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-2-[2-(dimethylamino)ethylamino]ethanol?
2-(3-bromothiophen-2-yl)-2-[2-(dimethylamino)ethylamino]ethanol has a molecular weight of 293.23 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-2-[2-(dimethylamino)ethylamino]ethanol is sourced from PubChem (CID 115381058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).