1-(2,4-difluorophenyl)-2-(thiophen-3-ylmethylamino)ethanol

C13H13F2NOS — CID 55027466

IUPAC1-(2,4-difluorophenyl)-2-(thiophen-3-ylmethylamino)ethanol
SMILESOC(CNCc1ccsc1)c1ccc(F)cc1F
InChIInChI=1S/C13H13F2NOS/c14-10-1-2-11(12(15)5-10)13(17)7-16-6-9-3-4-18-8-9/h1-5,8,13,16-17H,6-7H2
InChIKeyQUHSFQZXAXIFAO-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.85
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-(thiophen-3-ylmethylamino)ethanol

1-(2,4-difluorophenyl)-2-(thiophen-3-ylmethylamino)ethanol (PubChem CID 55027466) has the molecular formula C13H13F2NOS and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(thiophen-3-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(thiophen-3-ylmethylamino)ethanol
PubChem CID55027466
Molecular FormulaC13H13F2NOS
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name1-(2,4-difluorophenyl)-2-(thiophen-3-ylmethylamino)ethanol
SMILESOC(CNCc1ccsc1)c1ccc(F)cc1F
InChIInChI=1S/C13H13F2NOS/c14-10-1-2-11(12(15)5-10)13(17)7-16-6-9-3-4-18-8-9/h1-5,8,13,16-17H,6-7H2
InChIKeyQUHSFQZXAXIFAO-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-thiophenecarboxamide
CID 2812766
Benzenemethanol, alpha-(1-((3,3-di-3-thienyl-2-propenyl)amino)ethyl)-, (R-(R*,S*))-
CID 3033341
1-Phenyl-2-[(thiophen-2-ylmethyl)-amino]-ethanol
CID 2809735
2-[(5-Methyl-thiophen-2-ylmethyl)-amino]-1-phenyl-ethanol
CID 6461664
6-(benzylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-4-ol
CID 155539094
2-[(3-Methyl-thiophen-2-ylmethyl)-amino]-1-phenyl-ethanol
CID 6473033
Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-(2-hydroxy-2-phenylethyl)-, monohydrochloride
CID 3041278
1-Benzyloxy-3-[(2-thienylmethyl)amino]propan-2-ol
CID 44427655
Tinofedrine hydrochloride
CID 3039549
1,1,1-Trifluoro-3-[(4-thiophen-2-ylphenyl)methylamino]propan-2-ol
CID 2738524
2-{[(3-Methyl-2-thienyl)methyl]amino}-1-phenylethanol
CID 4722461
1-[2-(3-Fluorophenyl)-2-hydroxyethyl]-3-(2-thiophen-2-ylethyl)urea
CID 51094200

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(thiophen-3-ylmethylamino)ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(thiophen-3-ylmethylamino)ethanol (CID 55027466) is 1-(2,4-difluorophenyl)-2-(thiophen-3-ylmethylamino)ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(thiophen-3-ylmethylamino)ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(thiophen-3-ylmethylamino)ethanol is OC(CNCc1ccsc1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(thiophen-3-ylmethylamino)ethanol?
The InChIKey is QUHSFQZXAXIFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NOS/c14-10-1-2-11(12(15)5-10)13(17)7-16-6-9-3-4-18-8-9/h1-5,8,13,16-17H,6-7H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-(thiophen-3-ylmethylamino)ethanol?
1-(2,4-difluorophenyl)-2-(thiophen-3-ylmethylamino)ethanol has a molecular weight of 269.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(thiophen-3-ylmethylamino)ethanol is sourced from PubChem (CID 55027466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).