2-[[5-[(2,3-difluorophenyl)methyl]thiophen-3-yl]-ethylamino]ethanol

C15H17F2NOS — CID 90767233

IUPAC2-[[5-[(2,3-difluorophenyl)methyl]thiophen-3-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1csc(Cc2cccc(F)c2F)c1
InChIInChI=1S/C15H17F2NOS/c1-2-18(6-7-19)12-9-13(20-10-12)8-11-4-3-5-14(16)15(11)17/h3-5,9-10,19H,2,6-8H2,1H3
InChIKeyXTPMZTQKSLHOLQ-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.44
Rot. Bonds6

About 2-[[5-[(2,3-difluorophenyl)methyl]thiophen-3-yl]-ethylamino]ethanol

2-[[5-[(2,3-difluorophenyl)methyl]thiophen-3-yl]-ethylamino]ethanol (PubChem CID 90767233) has the molecular formula C15H17F2NOS and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-[[5-[(2,3-difluorophenyl)methyl]thiophen-3-yl]-ethylamino]ethanol.

Molecular Properties

Compound Name2-[[5-[(2,3-difluorophenyl)methyl]thiophen-3-yl]-ethylamino]ethanol
PubChem CID90767233
Molecular FormulaC15H17F2NOS
Molecular Weight297.37 g/mol
Exact Mass297.10
IUPAC Name2-[[5-[(2,3-difluorophenyl)methyl]thiophen-3-yl]-ethylamino]ethanol
SMILESCCN(CCO)c1csc(Cc2cccc(F)c2F)c1
InChIInChI=1S/C15H17F2NOS/c1-2-18(6-7-19)12-9-13(20-10-12)8-11-4-3-5-14(16)15(11)17/h3-5,9-10,19H,2,6-8H2,1H3
InChIKeyXTPMZTQKSLHOLQ-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2,3-difluorophenyl)methyl]thiophen-3-yl]-ethylamino]ethanol?
The IUPAC name of 2-[[5-[(2,3-difluorophenyl)methyl]thiophen-3-yl]-ethylamino]ethanol (CID 90767233) is 2-[[5-[(2,3-difluorophenyl)methyl]thiophen-3-yl]-ethylamino]ethanol.
What is the SMILES notation for 2-[[5-[(2,3-difluorophenyl)methyl]thiophen-3-yl]-ethylamino]ethanol?
The canonical SMILES for 2-[[5-[(2,3-difluorophenyl)methyl]thiophen-3-yl]-ethylamino]ethanol is CCN(CCO)c1csc(Cc2cccc(F)c2F)c1.
What is the InChIKey of 2-[[5-[(2,3-difluorophenyl)methyl]thiophen-3-yl]-ethylamino]ethanol?
The InChIKey is XTPMZTQKSLHOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NOS/c1-2-18(6-7-19)12-9-13(20-10-12)8-11-4-3-5-14(16)15(11)17/h3-5,9-10,19H,2,6-8H2,1H3.
What are the key properties of 2-[[5-[(2,3-difluorophenyl)methyl]thiophen-3-yl]-ethylamino]ethanol?
2-[[5-[(2,3-difluorophenyl)methyl]thiophen-3-yl]-ethylamino]ethanol has a molecular weight of 297.37 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2,3-difluorophenyl)methyl]thiophen-3-yl]-ethylamino]ethanol is sourced from PubChem (CID 90767233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).