2-[1-(4-fluorophenyl)propan-2-ylamino]-1-thiophen-3-ylethanol

C15H18FNOS — CID 75428274

IUPAC2-[1-(4-fluorophenyl)propan-2-ylamino]-1-thiophen-3-ylethanol
SMILESCC(Cc1ccc(F)cc1)NCC(O)c1ccsc1
InChIInChI=1S/C15H18FNOS/c1-11(8-12-2-4-14(16)5-3-12)17-9-15(18)13-6-7-19-10-13/h2-7,10-11,15,17-18H,8-9H2,1H3
InChIKeyJLAWGFRNUXXIGL-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.14
Rot. Bonds6

About 2-[1-(4-fluorophenyl)propan-2-ylamino]-1-thiophen-3-ylethanol

2-[1-(4-fluorophenyl)propan-2-ylamino]-1-thiophen-3-ylethanol (PubChem CID 75428274) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)propan-2-ylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)propan-2-ylamino]-1-thiophen-3-ylethanol
PubChem CID75428274
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name2-[1-(4-fluorophenyl)propan-2-ylamino]-1-thiophen-3-ylethanol
SMILESCC(Cc1ccc(F)cc1)NCC(O)c1ccsc1
InChIInChI=1S/C15H18FNOS/c1-11(8-12-2-4-14(16)5-3-12)17-9-15(18)13-6-7-19-10-13/h2-7,10-11,15,17-18H,8-9H2,1H3
InChIKeyJLAWGFRNUXXIGL-UHFFFAOYSA-N
XLogP3.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)propan-2-ylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[1-(4-fluorophenyl)propan-2-ylamino]-1-thiophen-3-ylethanol (CID 75428274) is 2-[1-(4-fluorophenyl)propan-2-ylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[1-(4-fluorophenyl)propan-2-ylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[1-(4-fluorophenyl)propan-2-ylamino]-1-thiophen-3-ylethanol is CC(Cc1ccc(F)cc1)NCC(O)c1ccsc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)propan-2-ylamino]-1-thiophen-3-ylethanol?
The InChIKey is JLAWGFRNUXXIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-11(8-12-2-4-14(16)5-3-12)17-9-15(18)13-6-7-19-10-13/h2-7,10-11,15,17-18H,8-9H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)propan-2-ylamino]-1-thiophen-3-ylethanol?
2-[1-(4-fluorophenyl)propan-2-ylamino]-1-thiophen-3-ylethanol has a molecular weight of 279.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)propan-2-ylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 75428274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).