1-(2,4-difluorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol

C14H15F2NOS — CID 81408093

IUPAC1-(2,4-difluorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol
SMILESC[C@@H](NCC(O)c1ccc(F)cc1F)c1cccs1
InChIInChI=1S/C14H15F2NOS/c1-9(14-3-2-6-19-14)17-8-13(18)11-5-4-10(15)7-12(11)16/h2-7,9,13,17-18H,8H2,1H3/t9-,13?/m1/s1
InChIKeySWBYUBRXGYUPRT-CGCSKFHYSA-N
MW283.34 g/mol
LogP3.41
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol

1-(2,4-difluorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol (PubChem CID 81408093) has the molecular formula C14H15F2NOS and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol
PubChem CID81408093
Molecular FormulaC14H15F2NOS
Molecular Weight283.34 g/mol
Exact Mass283.08
IUPAC Name1-(2,4-difluorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol
SMILESC[C@@H](NCC(O)c1ccc(F)cc1F)c1cccs1
InChIInChI=1S/C14H15F2NOS/c1-9(14-3-2-6-19-14)17-8-13(18)11-5-4-10(15)7-12(11)16/h2-7,9,13,17-18H,8H2,1H3/t9-,13?/m1/s1
InChIKeySWBYUBRXGYUPRT-CGCSKFHYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-2-(1-phenylethylamino)ethanol
CID 60766380
1-(2-chlorophenyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethanol
CID 81408060
1-(2-chlorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol
CID 81409365
1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81348797
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-thiophen-2-ylethanol
CID 81347026
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-(2,4-difluorophenyl)ethanol
CID 81382557
1-(2,4-difluorophenyl)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethanol
CID 61192642
(2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 93082161
(2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082006
3-(1-thiophen-2-ylethylamino)propane-1,2-diol
CID 60908559
(2R)-1-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082005
N-[(2,4-difluorophenyl)-thiophen-2-ylmethyl]ethanamine
CID 43490583

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol (CID 81408093) is 1-(2,4-difluorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol is C[C@@H](NCC(O)c1ccc(F)cc1F)c1cccs1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol?
The InChIKey is SWBYUBRXGYUPRT-CGCSKFHYSA-N. The full InChI is InChI=1S/C14H15F2NOS/c1-9(14-3-2-6-19-14)17-8-13(18)11-5-4-10(15)7-12(11)16/h2-7,9,13,17-18H,8H2,1H3/t9-,13?/m1/s1.
What are the key properties of 1-(2,4-difluorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol?
1-(2,4-difluorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol has a molecular weight of 283.34 g/mol, XLogP of 3.41, 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-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol is sourced from PubChem (CID 81408093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).