2-[3-[2-(5,7-difluoro-1-benzothiophen-6-yl)ethoxy]propylamino]ethanol

C15H19F2NO2S — CID 142653419

IUPAC2-[3-[2-(5,7-difluoro-1-benzothiophen-6-yl)ethoxy]propylamino]ethanol
SMILESOCCNCCCOCCc1c(F)cc2ccsc2c1F
InChIInChI=1S/C15H19F2NO2S/c16-13-10-11-3-9-21-15(11)14(17)12(13)2-8-20-7-1-4-18-5-6-19/h3,9-10,18-19H,1-2,4-8H2
InChIKeyUOJIGBNGAGXVQB-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.71
Rot. Bonds9

About 2-[3-[2-(5,7-difluoro-1-benzothiophen-6-yl)ethoxy]propylamino]ethanol

2-[3-[2-(5,7-difluoro-1-benzothiophen-6-yl)ethoxy]propylamino]ethanol (PubChem CID 142653419) has the molecular formula C15H19F2NO2S and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[3-[2-(5,7-difluoro-1-benzothiophen-6-yl)ethoxy]propylamino]ethanol.

Molecular Properties

Compound Name2-[3-[2-(5,7-difluoro-1-benzothiophen-6-yl)ethoxy]propylamino]ethanol
PubChem CID142653419
Molecular FormulaC15H19F2NO2S
Molecular Weight315.38 g/mol
Exact Mass315.11
IUPAC Name2-[3-[2-(5,7-difluoro-1-benzothiophen-6-yl)ethoxy]propylamino]ethanol
SMILESOCCNCCCOCCc1c(F)cc2ccsc2c1F
InChIInChI=1S/C15H19F2NO2S/c16-13-10-11-3-9-21-15(11)14(17)12(13)2-8-20-7-1-4-18-5-6-19/h3,9-10,18-19H,1-2,4-8H2
InChIKeyUOJIGBNGAGXVQB-UHFFFAOYSA-N
XLogP2.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(5,7-difluoro-1-benzothiophen-6-yl)ethoxy]propylamino]ethanol?
The IUPAC name of 2-[3-[2-(5,7-difluoro-1-benzothiophen-6-yl)ethoxy]propylamino]ethanol (CID 142653419) is 2-[3-[2-(5,7-difluoro-1-benzothiophen-6-yl)ethoxy]propylamino]ethanol.
What is the SMILES notation for 2-[3-[2-(5,7-difluoro-1-benzothiophen-6-yl)ethoxy]propylamino]ethanol?
The canonical SMILES for 2-[3-[2-(5,7-difluoro-1-benzothiophen-6-yl)ethoxy]propylamino]ethanol is OCCNCCCOCCc1c(F)cc2ccsc2c1F.
What is the InChIKey of 2-[3-[2-(5,7-difluoro-1-benzothiophen-6-yl)ethoxy]propylamino]ethanol?
The InChIKey is UOJIGBNGAGXVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2S/c16-13-10-11-3-9-21-15(11)14(17)12(13)2-8-20-7-1-4-18-5-6-19/h3,9-10,18-19H,1-2,4-8H2.
What are the key properties of 2-[3-[2-(5,7-difluoro-1-benzothiophen-6-yl)ethoxy]propylamino]ethanol?
2-[3-[2-(5,7-difluoro-1-benzothiophen-6-yl)ethoxy]propylamino]ethanol has a molecular weight of 315.38 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(5,7-difluoro-1-benzothiophen-6-yl)ethoxy]propylamino]ethanol is sourced from PubChem (CID 142653419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).