1-(3,4-difluorophenyl)-2-(4-ethoxyanilino)ethanol

C16H17F2NO2 — CID 60897262

IUPAC1-(3,4-difluorophenyl)-2-(4-ethoxyanilino)ethanol
SMILESCCOc1ccc(NCC(O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H17F2NO2/c1-2-21-13-6-4-12(5-7-13)19-10-16(20)11-3-8-14(17)15(18)9-11/h3-9,16,19-20H,2,10H2,1H3
InChIKeyWYRNCWAWCUYDAW-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.51
Rot. Bonds6

About 1-(3,4-difluorophenyl)-2-(4-ethoxyanilino)ethanol

1-(3,4-difluorophenyl)-2-(4-ethoxyanilino)ethanol (PubChem CID 60897262) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(4-ethoxyanilino)ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(4-ethoxyanilino)ethanol
PubChem CID60897262
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name1-(3,4-difluorophenyl)-2-(4-ethoxyanilino)ethanol
SMILESCCOc1ccc(NCC(O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H17F2NO2/c1-2-21-13-6-4-12(5-7-13)19-10-16(20)11-3-8-14(17)15(18)9-11/h3-9,16,19-20H,2,10H2,1H3
InChIKeyWYRNCWAWCUYDAW-UHFFFAOYSA-N
XLogP3.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-difluorophenyl)-2-(4-methylanilino)ethanol
CID 60900534
2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol
CID 60898138
4-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 60759325
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyanilino)ethanol
CID 60909290
2-(3-chloro-4-fluoroanilino)-1-(3,4-difluorophenyl)ethanol
CID 83108562
2-(3-bromo-4-methylanilino)-1-(3,4-difluorophenyl)ethanol
CID 63334175
1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol
CID 60902372
2-(tert-butylamino)-1-(4-ethoxyphenyl)ethanol
CID 62774522
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-ethoxyanilino)-2-oxoethyl]azanium
CID 9376801
1-(3,4-difluorophenyl)-2-[3-(dimethylamino)anilino]ethanol
CID 115377826
(2S)-1-(4-ethoxyanilino)-3-[(2R)-3-(4-ethoxyanilino)-2-hydroxypropyl]sulfanylpropan-2-ol
CID 7230989
1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol
CID 60902136

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(4-ethoxyanilino)ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(4-ethoxyanilino)ethanol (CID 60897262) is 1-(3,4-difluorophenyl)-2-(4-ethoxyanilino)ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(4-ethoxyanilino)ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(4-ethoxyanilino)ethanol is CCOc1ccc(NCC(O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(4-ethoxyanilino)ethanol?
The InChIKey is WYRNCWAWCUYDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-2-21-13-6-4-12(5-7-13)19-10-16(20)11-3-8-14(17)15(18)9-11/h3-9,16,19-20H,2,10H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(4-ethoxyanilino)ethanol?
1-(3,4-difluorophenyl)-2-(4-ethoxyanilino)ethanol has a molecular weight of 293.31 g/mol, XLogP of 3.51, 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-(4-ethoxyanilino)ethanol is sourced from PubChem (CID 60897262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).