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

C13H13ClFNOS — CID 111469547

IUPAC1-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methylamino]ethanol
SMILESOC(CNCc1ccccc1F)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClFNOS/c14-13-6-5-12(18-13)11(17)8-16-7-9-3-1-2-4-10(9)15/h1-6,11,16-17H,7-8H2
InChIKeyLQHPHMNPBKNPKG-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.36
Rot. Bonds5

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

1-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methylamino]ethanol (PubChem CID 111469547) has the molecular formula C13H13ClFNOS and a molecular weight of 285.77 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methylamino]ethanol
PubChem CID111469547
Molecular FormulaC13H13ClFNOS
Molecular Weight285.77 g/mol
Exact Mass285.04
IUPAC Name1-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methylamino]ethanol
SMILESOC(CNCc1ccccc1F)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClFNOS/c14-13-6-5-12(18-13)11(17)8-16-7-9-3-1-2-4-10(9)15/h1-6,11,16-17H,7-8H2
InChIKeyLQHPHMNPBKNPKG-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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Related Compounds

1-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-3-ethyl-2-[(2-fluorophenyl)methyl]guanidine
CID 111502249
1-(5-chlorothiophen-2-yl)-2-(pyridin-4-ylmethylamino)ethanol
CID 111463156
2-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]-1-(5-chlorothiophen-2-yl)ethanol
CID 111469544
3-[(2-fluorophenyl)methylamino]propane-1,2-diol
CID 56986233
1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 79002149
2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine
CID 60922653
1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421975
1-(5-chlorothiophen-2-yl)-2-[(1-phenylpyrazol-4-yl)methylamino]ethanol
CID 111469606
4-[[[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 111469603
2-(2-chloro-6-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanol
CID 61087611
4-[2-[(2-fluorophenyl)methylamino]-1-hydroxyethyl]benzonitrile
CID 60899902
1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631775

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methylamino]ethanol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methylamino]ethanol (CID 111469547) is 1-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methylamino]ethanol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methylamino]ethanol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methylamino]ethanol is OC(CNCc1ccccc1F)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methylamino]ethanol?
The InChIKey is LQHPHMNPBKNPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNOS/c14-13-6-5-12(18-13)11(17)8-16-7-9-3-1-2-4-10(9)15/h1-6,11,16-17H,7-8H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methylamino]ethanol?
1-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methylamino]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 1-(5-chlorothiophen-2-yl)-2-[(2-fluorophenyl)methylamino]ethanol is sourced from PubChem (CID 111469547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).