2-(3-bromothiophen-2-yl)-2-(2-methoxyanilino)ethanol

C13H14BrNO2S — CID 113298240

IUPAC2-(3-bromothiophen-2-yl)-2-(2-methoxyanilino)ethanol
SMILESCOc1ccccc1NC(CO)c1sccc1Br
InChIInChI=1S/C13H14BrNO2S/c1-17-12-5-3-2-4-10(12)15-11(8-16)13-9(14)6-7-18-13/h2-7,11,15-16H,8H2,1H3
InChIKeySIEJGXJGPYTLML-UHFFFAOYSA-N
MW328.23 g/mol
LogP3.66
Rot. Bonds5

About 2-(3-bromothiophen-2-yl)-2-(2-methoxyanilino)ethanol

2-(3-bromothiophen-2-yl)-2-(2-methoxyanilino)ethanol (PubChem CID 113298240) has the molecular formula C13H14BrNO2S and a molecular weight of 328.23 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-2-(2-methoxyanilino)ethanol.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-2-(2-methoxyanilino)ethanol
PubChem CID113298240
Molecular FormulaC13H14BrNO2S
Molecular Weight328.23 g/mol
Exact Mass326.99
IUPAC Name2-(3-bromothiophen-2-yl)-2-(2-methoxyanilino)ethanol
SMILESCOc1ccccc1NC(CO)c1sccc1Br
InChIInChI=1S/C13H14BrNO2S/c1-17-12-5-3-2-4-10(12)15-11(8-16)13-9(14)6-7-18-13/h2-7,11,15-16H,8H2,1H3
InChIKeySIEJGXJGPYTLML-UHFFFAOYSA-N
XLogP3.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 55239918
2-(3-bromo-4-chlorophenyl)-2-(2-methoxyanilino)ethanol
CID 83230067
N-[1-(3-bromothiophen-2-yl)ethyl]-2-propan-2-yloxyaniline
CID 43789755
N-(2-methoxyphenyl)-1-thiophen-2-ylethane-1,2-diamine
CID 65383986
(1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81397385
N-[1-(3-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 43766775
2-(3-bromothiophen-2-yl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 115381058
2-(2-methoxyphenyl)-2-(2-methylanilino)ethanol
CID 61047526
2-(3-chloro-5-fluorophenyl)-2-(2-methoxyanilino)ethanol
CID 114454325
methyl 3-hydroxy-2-(2-methoxyanilino)propanoate
CID 104711246
2-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyanilino)ethanol
CID 79584117
1-(4-bromophenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine
CID 65383369

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-2-(2-methoxyanilino)ethanol?
The IUPAC name of 2-(3-bromothiophen-2-yl)-2-(2-methoxyanilino)ethanol (CID 113298240) is 2-(3-bromothiophen-2-yl)-2-(2-methoxyanilino)ethanol.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-2-(2-methoxyanilino)ethanol?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-2-(2-methoxyanilino)ethanol is COc1ccccc1NC(CO)c1sccc1Br.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-2-(2-methoxyanilino)ethanol?
The InChIKey is SIEJGXJGPYTLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2S/c1-17-12-5-3-2-4-10(12)15-11(8-16)13-9(14)6-7-18-13/h2-7,11,15-16H,8H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-2-(2-methoxyanilino)ethanol?
2-(3-bromothiophen-2-yl)-2-(2-methoxyanilino)ethanol has a molecular weight of 328.23 g/mol, XLogP of 3.66, 5 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-methoxyanilino)ethanol is sourced from PubChem (CID 113298240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).