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

C8H12ClNOS — CID 43439192

IUPAC2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
SMILESCC(NCCO)c1ccc(Cl)s1
InChIInChI=1S/C8H12ClNOS/c1-6(10-4-5-11)7-2-3-8(9)12-7/h2-3,6,10-11H,4-5H2,1H3
InChIKeyNGRUDVGRQCCNJQ-UHFFFAOYSA-N
MW205.71 g/mol
LogP2.04
Rot. Bonds4

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

2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol (PubChem CID 43439192) has the molecular formula C8H12ClNOS and a molecular weight of 205.71 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
PubChem CID43439192
Molecular FormulaC8H12ClNOS
Molecular Weight205.71 g/mol
Exact Mass205.03
IUPAC Name2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol
SMILESCC(NCCO)c1ccc(Cl)s1
InChIInChI=1S/C8H12ClNOS/c1-6(10-4-5-11)7-2-3-8(9)12-7/h2-3,6,10-11H,4-5H2,1H3
InChIKeyNGRUDVGRQCCNJQ-UHFFFAOYSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine
CID 80696138
N'-[1-(5-chlorothiophen-2-yl)ethyl]ethane-1,2-diamine
CID 60887972
2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol
CID 93025500
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 61469472
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43432672
5-[1-(5-chlorothiophen-2-yl)ethylamino]pentanoic acid
CID 103243977
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanesulfonamide
CID 43551657
N-tert-butyl-3-[1-(5-chlorothiophen-2-yl)ethylamino]propanamide
CID 112688580
N-[1-(5-chlorothiophen-2-yl)ethyl]but-2-yn-1-amine
CID 62309744
5-[1-(2-hydroxyethylamino)ethyl]thiophene-2-carbonitrile
CID 115905377
3-[1-(5-chlorothiophen-2-yl)ethylamino]-N,N-diethylpropanamide
CID 54935393
4-[1-(5-chlorothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide
CID 77032296

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol?
The IUPAC name of 2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol (CID 43439192) is 2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol.
What is the SMILES notation for 2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol?
The canonical SMILES for 2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol is CC(NCCO)c1ccc(Cl)s1.
What is the InChIKey of 2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol?
The InChIKey is NGRUDVGRQCCNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNOS/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-chlorothiophen-2-yl)ethylamino]ethanol?
2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol has a molecular weight of 205.71 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chlorothiophen-2-yl)ethylamino]ethanol is sourced from PubChem (CID 43439192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).