2-[benzyl(thiophen-3-ylmethyl)amino]ethanol

C14H17NOS — CID 23910978

IUPAC2-[benzyl(thiophen-3-ylmethyl)amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1ccsc1
InChIInChI=1S/C14H17NOS/c16-8-7-15(11-14-6-9-17-12-14)10-13-4-2-1-3-5-13/h1-6,9,12,16H,7-8,10-11H2
InChIKeyKWZPSTIDYHWOHS-UHFFFAOYSA-N
MW247.36 g/mol
LogP2.74
Rot. Bonds6

About 2-[benzyl(thiophen-3-ylmethyl)amino]ethanol

2-[benzyl(thiophen-3-ylmethyl)amino]ethanol (PubChem CID 23910978) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-[benzyl(thiophen-3-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[benzyl(thiophen-3-ylmethyl)amino]ethanol
PubChem CID23910978
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name2-[benzyl(thiophen-3-ylmethyl)amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1ccsc1
InChIInChI=1S/C14H17NOS/c16-8-7-15(11-14-6-9-17-12-14)10-13-4-2-1-3-5-13/h1-6,9,12,16H,7-8,10-11H2
InChIKeyKWZPSTIDYHWOHS-UHFFFAOYSA-N
XLogP2.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(thiophen-3-ylmethyl)amino]ethanol?
The IUPAC name of 2-[benzyl(thiophen-3-ylmethyl)amino]ethanol (CID 23910978) is 2-[benzyl(thiophen-3-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[benzyl(thiophen-3-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[benzyl(thiophen-3-ylmethyl)amino]ethanol is OCCN(Cc1ccccc1)Cc1ccsc1.
What is the InChIKey of 2-[benzyl(thiophen-3-ylmethyl)amino]ethanol?
The InChIKey is KWZPSTIDYHWOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c16-8-7-15(11-14-6-9-17-12-14)10-13-4-2-1-3-5-13/h1-6,9,12,16H,7-8,10-11H2.
What are the key properties of 2-[benzyl(thiophen-3-ylmethyl)amino]ethanol?
2-[benzyl(thiophen-3-ylmethyl)amino]ethanol has a molecular weight of 247.36 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(thiophen-3-ylmethyl)amino]ethanol is sourced from PubChem (CID 23910978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).