2-[(4-chlorothiophen-2-yl)methyl-methylamino]ethanol

C8H12ClNOS — CID 141010434

IUPAC2-[(4-chlorothiophen-2-yl)methyl-methylamino]ethanol
SMILESCN(CCO)Cc1cc(Cl)cs1
InChIInChI=1S/C8H12ClNOS/c1-10(2-3-11)5-8-4-7(9)6-12-8/h4,6,11H,2-3,5H2,1H3
InChIKeySYEXXHDTOOQAPX-UHFFFAOYSA-N
MW205.71 g/mol
LogP1.83
Rot. Bonds4

About 2-[(4-chlorothiophen-2-yl)methyl-methylamino]ethanol

2-[(4-chlorothiophen-2-yl)methyl-methylamino]ethanol (PubChem CID 141010434) has the molecular formula C8H12ClNOS and a molecular weight of 205.71 g/mol. Its IUPAC name is 2-[(4-chlorothiophen-2-yl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[(4-chlorothiophen-2-yl)methyl-methylamino]ethanol
PubChem CID141010434
Molecular FormulaC8H12ClNOS
Molecular Weight205.71 g/mol
Exact Mass205.03
IUPAC Name2-[(4-chlorothiophen-2-yl)methyl-methylamino]ethanol
SMILESCN(CCO)Cc1cc(Cl)cs1
InChIInChI=1S/C8H12ClNOS/c1-10(2-3-11)5-8-4-7(9)6-12-8/h4,6,11H,2-3,5H2,1H3
InChIKeySYEXXHDTOOQAPX-UHFFFAOYSA-N
XLogP1.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorothiophen-2-yl)methyl-methylamino]ethanol?
The IUPAC name of 2-[(4-chlorothiophen-2-yl)methyl-methylamino]ethanol (CID 141010434) is 2-[(4-chlorothiophen-2-yl)methyl-methylamino]ethanol.
What is the SMILES notation for 2-[(4-chlorothiophen-2-yl)methyl-methylamino]ethanol?
The canonical SMILES for 2-[(4-chlorothiophen-2-yl)methyl-methylamino]ethanol is CN(CCO)Cc1cc(Cl)cs1.
What is the InChIKey of 2-[(4-chlorothiophen-2-yl)methyl-methylamino]ethanol?
The InChIKey is SYEXXHDTOOQAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNOS/c1-10(2-3-11)5-8-4-7(9)6-12-8/h4,6,11H,2-3,5H2,1H3.
What are the key properties of 2-[(4-chlorothiophen-2-yl)methyl-methylamino]ethanol?
2-[(4-chlorothiophen-2-yl)methyl-methylamino]ethanol has a molecular weight of 205.71 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorothiophen-2-yl)methyl-methylamino]ethanol is sourced from PubChem (CID 141010434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).