2-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol

C13H13ClFNOS — CID 60744237

IUPAC2-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol
SMILESOC(CNCc1ccc(Cl)s1)c1ccccc1F
InChIInChI=1S/C13H13ClFNOS/c14-13-6-5-9(18-13)7-16-8-12(17)10-3-1-2-4-11(10)15/h1-6,12,16-17H,7-8H2
InChIKeyZNNDJJKURQZDHG-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.36
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol

2-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol (PubChem CID 60744237) has the molecular formula C13H13ClFNOS and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol
PubChem CID60744237
Molecular FormulaC13H13ClFNOS
Molecular Weight285.77 g/mol
Exact Mass285.04
IUPAC Name2-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol
SMILESOC(CNCc1ccc(Cl)s1)c1ccccc1F
InChIInChI=1S/C13H13ClFNOS/c14-13-6-5-9(18-13)7-16-8-12(17)10-3-1-2-4-11(10)15/h1-6,12,16-17H,7-8H2
InChIKeyZNNDJJKURQZDHG-UHFFFAOYSA-N
XLogP3.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol (CID 60744237) is 2-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol is OC(CNCc1ccc(Cl)s1)c1ccccc1F.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol?
The InChIKey is ZNNDJJKURQZDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNOS/c14-13-6-5-9(18-13)7-16-8-12(17)10-3-1-2-4-11(10)15/h1-6,12,16-17H,7-8H2.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol?
2-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol has a molecular weight of 285.77 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 60744237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).