1-phenyl-2-(thiophen-2-ylmethylamino)ethanol

C13H15NOS — CID 2809735

IUPAC1-phenyl-2-(thiophen-2-ylmethylamino)ethanol
SMILESOC(CNCc1cccs1)c1ccccc1
InChIInChI=1S/C13H15NOS/c15-13(11-5-2-1-3-6-11)10-14-9-12-7-4-8-16-12/h1-8,13-15H,9-10H2
InChIKeyQZCQMSVDIPEADQ-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.57
Rot. Bonds5

About 1-phenyl-2-(thiophen-2-ylmethylamino)ethanol

1-phenyl-2-(thiophen-2-ylmethylamino)ethanol (PubChem CID 2809735) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-phenyl-2-(thiophen-2-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-phenyl-2-(thiophen-2-ylmethylamino)ethanol
PubChem CID2809735
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name1-phenyl-2-(thiophen-2-ylmethylamino)ethanol
SMILESOC(CNCc1cccs1)c1ccccc1
InChIInChI=1S/C13H15NOS/c15-13(11-5-2-1-3-6-11)10-14-9-12-7-4-8-16-12/h1-8,13-15H,9-10H2
InChIKeyQZCQMSVDIPEADQ-UHFFFAOYSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(thiophen-2-ylmethylamino)ethanol?
The IUPAC name of 1-phenyl-2-(thiophen-2-ylmethylamino)ethanol (CID 2809735) is 1-phenyl-2-(thiophen-2-ylmethylamino)ethanol.
What is the SMILES notation for 1-phenyl-2-(thiophen-2-ylmethylamino)ethanol?
The canonical SMILES for 1-phenyl-2-(thiophen-2-ylmethylamino)ethanol is OC(CNCc1cccs1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(thiophen-2-ylmethylamino)ethanol?
The InChIKey is QZCQMSVDIPEADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c15-13(11-5-2-1-3-6-11)10-14-9-12-7-4-8-16-12/h1-8,13-15H,9-10H2.
What are the key properties of 1-phenyl-2-(thiophen-2-ylmethylamino)ethanol?
1-phenyl-2-(thiophen-2-ylmethylamino)ethanol has a molecular weight of 233.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(thiophen-2-ylmethylamino)ethanol is sourced from PubChem (CID 2809735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).