1-(2,4-difluorophenyl)-2-[(2-hydroxy-1-phenylethyl)amino]ethanol

C16H17F2NO2 — CID 63183176

IUPAC1-(2,4-difluorophenyl)-2-[(2-hydroxy-1-phenylethyl)amino]ethanol
SMILESOCC(NCC(O)c1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C16H17F2NO2/c17-12-6-7-13(14(18)8-12)16(21)9-19-15(10-20)11-4-2-1-3-5-11/h1-8,15-16,19-21H,9-10H2
InChIKeyLYAWCRRZYDMKEY-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.32
Rot. Bonds6

About 1-(2,4-difluorophenyl)-2-[(2-hydroxy-1-phenylethyl)amino]ethanol

1-(2,4-difluorophenyl)-2-[(2-hydroxy-1-phenylethyl)amino]ethanol (PubChem CID 63183176) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[(2-hydroxy-1-phenylethyl)amino]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[(2-hydroxy-1-phenylethyl)amino]ethanol
PubChem CID63183176
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name1-(2,4-difluorophenyl)-2-[(2-hydroxy-1-phenylethyl)amino]ethanol
SMILESOCC(NCC(O)c1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C16H17F2NO2/c17-12-6-7-13(14(18)8-12)16(21)9-19-15(10-20)11-4-2-1-3-5-11/h1-8,15-16,19-21H,9-10H2
InChIKeyLYAWCRRZYDMKEY-UHFFFAOYSA-N
XLogP2.32
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-2-(1-phenylethylamino)ethanol
CID 60766380
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-(2,4-difluorophenyl)ethanol
CID 81382557
1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867817
3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol
CID 66170151
1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81348797
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 38524721
1-(2,4-difluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol
CID 60979913
1-(2,4-difluorophenyl)-2-(1-methylsulfinylpropan-2-ylamino)ethanol
CID 113486446
1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-phenylurea
CID 51729222
2-(2,4-difluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103944983
1-(2,4-difluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644662
1-(2,4-difluorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol
CID 81408093

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[(2-hydroxy-1-phenylethyl)amino]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[(2-hydroxy-1-phenylethyl)amino]ethanol (CID 63183176) is 1-(2,4-difluorophenyl)-2-[(2-hydroxy-1-phenylethyl)amino]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[(2-hydroxy-1-phenylethyl)amino]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[(2-hydroxy-1-phenylethyl)amino]ethanol is OCC(NCC(O)c1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[(2-hydroxy-1-phenylethyl)amino]ethanol?
The InChIKey is LYAWCRRZYDMKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c17-12-6-7-13(14(18)8-12)16(21)9-19-15(10-20)11-4-2-1-3-5-11/h1-8,15-16,19-21H,9-10H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-[(2-hydroxy-1-phenylethyl)amino]ethanol?
1-(2,4-difluorophenyl)-2-[(2-hydroxy-1-phenylethyl)amino]ethanol has a molecular weight of 293.31 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[(2-hydroxy-1-phenylethyl)amino]ethanol is sourced from PubChem (CID 63183176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).