1-(3-methoxyphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethanol

C14H12F4N2O2 — CID 133372605

IUPAC1-(3-methoxyphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethanol
SMILESCOc1cccc(C(O)CNc2c(F)c(F)nc(F)c2F)c1
InChIInChI=1S/C14H12F4N2O2/c1-22-8-4-2-3-7(5-8)9(21)6-19-12-10(15)13(17)20-14(18)11(12)16/h2-5,9,21H,6H2,1H3,(H,19,20)
InChIKeyXKLOJYVIKBZFOB-UHFFFAOYSA-N
MW316.25 g/mol
LogP2.79
Rot. Bonds5

About 1-(3-methoxyphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethanol

1-(3-methoxyphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethanol (PubChem CID 133372605) has the molecular formula C14H12F4N2O2 and a molecular weight of 316.25 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethanol
PubChem CID133372605
Molecular FormulaC14H12F4N2O2
Molecular Weight316.25 g/mol
Exact Mass316.08
IUPAC Name1-(3-methoxyphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethanol
SMILESCOc1cccc(C(O)CNc2c(F)c(F)nc(F)c2F)c1
InChIInChI=1S/C14H12F4N2O2/c1-22-8-4-2-3-7(5-8)9(21)6-19-12-10(15)13(17)20-14(18)11(12)16/h2-5,9,21H,6H2,1H3,(H,19,20)
InChIKeyXKLOJYVIKBZFOB-UHFFFAOYSA-N
XLogP2.79
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluoro-2-iodoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134030
2-(2-bromo-6-chloro-4-fluoroanilino)-1-(3-methoxyphenyl)ethanol
CID 107611576
2-(4-iodoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134599
1-(3-methoxyphenyl)-2-[(6-methylpyrazin-2-yl)amino]ethanol
CID 133470904
2-(2,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol
CID 60900221
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide
CID 111437211
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 78966811
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
2-(4-methoxy-3-methylanilino)-1-(3-methoxyphenyl)ethanol
CID 81134083
2-[2-(4-fluorophenyl)propylamino]-1-(3-methoxyphenyl)ethanol
CID 111382295
2-(2,5-dibromoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134139

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethanol (CID 133372605) is 1-(3-methoxyphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethanol is COc1cccc(C(O)CNc2c(F)c(F)nc(F)c2F)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethanol?
The InChIKey is XKLOJYVIKBZFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O2/c1-22-8-4-2-3-7(5-8)9(21)6-19-12-10(15)13(17)20-14(18)11(12)16/h2-5,9,21H,6H2,1H3,(H,19,20).
What are the key properties of 1-(3-methoxyphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethanol?
1-(3-methoxyphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethanol has a molecular weight of 316.25 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethanol is sourced from PubChem (CID 133372605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).