2-[1-(5-bromothiophen-2-yl)ethylamino]ethanol

C8H12BrNOS — CID 61000307

IUPAC2-[1-(5-bromothiophen-2-yl)ethylamino]ethanol
SMILESCC(NCCO)c1ccc(Br)s1
InChIInChI=1S/C8H12BrNOS/c1-6(10-4-5-11)7-2-3-8(9)12-7/h2-3,6,10-11H,4-5H2,1H3
InChIKeyPKOOCESWUPIQRO-UHFFFAOYSA-N
MW250.16 g/mol
LogP2.15
Rot. Bonds4

About 2-[1-(5-bromothiophen-2-yl)ethylamino]ethanol

2-[1-(5-bromothiophen-2-yl)ethylamino]ethanol (PubChem CID 61000307) has the molecular formula C8H12BrNOS and a molecular weight of 250.16 g/mol. Its IUPAC name is 2-[1-(5-bromothiophen-2-yl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[1-(5-bromothiophen-2-yl)ethylamino]ethanol
PubChem CID61000307
Molecular FormulaC8H12BrNOS
Molecular Weight250.16 g/mol
Exact Mass248.98
IUPAC Name2-[1-(5-bromothiophen-2-yl)ethylamino]ethanol
SMILESCC(NCCO)c1ccc(Br)s1
InChIInChI=1S/C8H12BrNOS/c1-6(10-4-5-11)7-2-3-8(9)12-7/h2-3,6,10-11H,4-5H2,1H3
InChIKeyPKOOCESWUPIQRO-UHFFFAOYSA-N
XLogP2.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromothiophen-2-yl)ethylamino]ethanol?
The IUPAC name of 2-[1-(5-bromothiophen-2-yl)ethylamino]ethanol (CID 61000307) is 2-[1-(5-bromothiophen-2-yl)ethylamino]ethanol.
What is the SMILES notation for 2-[1-(5-bromothiophen-2-yl)ethylamino]ethanol?
The canonical SMILES for 2-[1-(5-bromothiophen-2-yl)ethylamino]ethanol is CC(NCCO)c1ccc(Br)s1.
What is the InChIKey of 2-[1-(5-bromothiophen-2-yl)ethylamino]ethanol?
The InChIKey is PKOOCESWUPIQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNOS/c1-6(10-4-5-11)7-2-3-8(9)12-7/h2-3,6,10-11H,4-5H2,1H3.
What are the key properties of 2-[1-(5-bromothiophen-2-yl)ethylamino]ethanol?
2-[1-(5-bromothiophen-2-yl)ethylamino]ethanol has a molecular weight of 250.16 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromothiophen-2-yl)ethylamino]ethanol is sourced from PubChem (CID 61000307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).