2-[2-amino-1-(3-bromothiophen-2-yl)ethoxy]ethanol

C8H12BrNO2S — CID 103376804

IUPAC2-[2-amino-1-(3-bromothiophen-2-yl)ethoxy]ethanol
SMILESNCC(OCCO)c1sccc1Br
InChIInChI=1S/C8H12BrNO2S/c9-6-1-4-13-8(6)7(5-10)12-3-2-11/h1,4,7,11H,2-3,5,10H2
InChIKeyAPDSAAMNDOCNAF-UHFFFAOYSA-N
MW266.16 g/mol
LogP1.52
Rot. Bonds5

About 2-[2-amino-1-(3-bromothiophen-2-yl)ethoxy]ethanol

2-[2-amino-1-(3-bromothiophen-2-yl)ethoxy]ethanol (PubChem CID 103376804) has the molecular formula C8H12BrNO2S and a molecular weight of 266.16 g/mol. Its IUPAC name is 2-[2-amino-1-(3-bromothiophen-2-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-amino-1-(3-bromothiophen-2-yl)ethoxy]ethanol
PubChem CID103376804
Molecular FormulaC8H12BrNO2S
Molecular Weight266.16 g/mol
Exact Mass264.98
IUPAC Name2-[2-amino-1-(3-bromothiophen-2-yl)ethoxy]ethanol
SMILESNCC(OCCO)c1sccc1Br
InChIInChI=1S/C8H12BrNO2S/c9-6-1-4-13-8(6)7(5-10)12-3-2-11/h1,4,7,11H,2-3,5,10H2
InChIKeyAPDSAAMNDOCNAF-UHFFFAOYSA-N
XLogP1.52
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-amino-1-[4-(difluoromethyl)phenyl]ethoxy]ethanol
CID 103376913
3-amino-1-(3-bromothiophen-2-yl)-2-(4-methylphenyl)propan-1-ol
CID 65187627
2-[2-amino-1-(5-bromo-2-methoxyphenyl)ethoxy]ethanol
CID 103376821
diethyl 2-[(3-bromothiophen-2-yl)-hydroxymethyl]propanedioate
CID 113298285
1-(3-bromothiophen-2-yl)-N,N-diethylethane-1,2-diamine
CID 115380264
1-(3-bromothiophen-2-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine
CID 115380480
2-(3-bromothiophen-2-yl)-2-ethoxyacetonitrile
CID 115381456
2-(3-bromothiophen-2-yl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 83011912
3-amino-1-(3-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 65189963
(1R)-1-(3-bromothiophen-2-yl)propan-1-ol
CID 82758861
3-[2-amino-1-(4-bromo-5-methylthiophen-2-yl)ethoxy]propan-1-ol
CID 103377420
ethyl 2-(3-bromothiophen-2-yl)pentanoate
CID 83043654

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-1-(3-bromothiophen-2-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-amino-1-(3-bromothiophen-2-yl)ethoxy]ethanol (CID 103376804) is 2-[2-amino-1-(3-bromothiophen-2-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-amino-1-(3-bromothiophen-2-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-amino-1-(3-bromothiophen-2-yl)ethoxy]ethanol is NCC(OCCO)c1sccc1Br.
What is the InChIKey of 2-[2-amino-1-(3-bromothiophen-2-yl)ethoxy]ethanol?
The InChIKey is APDSAAMNDOCNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO2S/c9-6-1-4-13-8(6)7(5-10)12-3-2-11/h1,4,7,11H,2-3,5,10H2.
What are the key properties of 2-[2-amino-1-(3-bromothiophen-2-yl)ethoxy]ethanol?
2-[2-amino-1-(3-bromothiophen-2-yl)ethoxy]ethanol has a molecular weight of 266.16 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-1-(3-bromothiophen-2-yl)ethoxy]ethanol is sourced from PubChem (CID 103376804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).