1-(3,4-difluorophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)ethanol

C15H17F2NOS — CID 61221529

IUPAC1-(3,4-difluorophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)ethanol
SMILESCC(Cc1ccsc1)NCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H17F2NOS/c1-10(6-11-4-5-20-9-11)18-8-15(19)12-2-3-13(16)14(17)7-12/h2-5,7,9-10,15,18-19H,6,8H2,1H3
InChIKeyFBASSZOLCJLXJU-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.28
Rot. Bonds6

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

1-(3,4-difluorophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)ethanol (PubChem CID 61221529) has the molecular formula C15H17F2NOS and a molecular weight of 297.37 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)ethanol
PubChem CID61221529
Molecular FormulaC15H17F2NOS
Molecular Weight297.37 g/mol
Exact Mass297.10
IUPAC Name1-(3,4-difluorophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)ethanol
SMILESCC(Cc1ccsc1)NCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C15H17F2NOS/c1-10(6-11-4-5-20-9-11)18-8-15(19)12-2-3-13(16)14(17)7-12/h2-5,7,9-10,15,18-19H,6,8H2,1H3
InChIKeyFBASSZOLCJLXJU-UHFFFAOYSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-2-(1-thiophen-2-ylpropan-2-ylamino)ethanol
CID 63292341
1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanol
CID 63094329
1-(3-bromo-4-fluorophenyl)-2-thiophen-3-ylethanol
CID 65148445
1-(3,4-difluorophenyl)-2-(heptan-2-ylamino)ethanol
CID 60980975
N-(2-fluoroethyl)-1-thiophen-3-ylpropan-2-amine
CID 80694035
2-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103881398
1-(4-bromo-3-methylphenyl)-2-thiophen-3-ylethanol
CID 81446687
2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81396113
2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol
CID 113260051
1-(3-fluorophenyl)-2-thiophen-3-ylethanol
CID 62607958
2-[1-(3-chlorophenyl)ethylamino]-1-(3,4-difluorophenyl)ethanol
CID 60981403
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81370353

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)ethanol (CID 61221529) is 1-(3,4-difluorophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)ethanol is CC(Cc1ccsc1)NCC(O)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)ethanol?
The InChIKey is FBASSZOLCJLXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NOS/c1-10(6-11-4-5-20-9-11)18-8-15(19)12-2-3-13(16)14(17)7-12/h2-5,7,9-10,15,18-19H,6,8H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)ethanol?
1-(3,4-difluorophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)ethanol has a molecular weight of 297.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)ethanol is sourced from PubChem (CID 61221529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).