2-[2-(3-fluoro-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol

C14H16FN3O2 — CID 171653205

IUPAC2-[2-(3-fluoro-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol
SMILESOCCNCCc1cc(F)cc(Oc2cccnn2)c1
InChIInChI=1S/C14H16FN3O2/c15-12-8-11(3-5-16-6-7-19)9-13(10-12)20-14-2-1-4-17-18-14/h1-2,4,8-10,16,19H,3,5-7H2
InChIKeyJBGBPAVBBAURGX-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.53
Rot. Bonds7

About 2-[2-(3-fluoro-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol

2-[2-(3-fluoro-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol (PubChem CID 171653205) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[2-(3-fluoro-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(3-fluoro-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol
PubChem CID171653205
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name2-[2-(3-fluoro-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol
SMILESOCCNCCc1cc(F)cc(Oc2cccnn2)c1
InChIInChI=1S/C14H16FN3O2/c15-12-8-11(3-5-16-6-7-19)9-13(10-12)20-14-2-1-4-17-18-14/h1-2,4,8-10,16,19H,3,5-7H2
InChIKeyJBGBPAVBBAURGX-UHFFFAOYSA-N
XLogP1.53
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol
CID 171653167
methylidene-[2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethyl]oxidanium
CID 171653159
2-[2-(3,5-difluorophenyl)ethylamino]ethanol
CID 62603879
molecular hydrogen;2-[2-(3-pyridin-2-yloxyphenyl)ethylamino]ethanol
CID 171653208
2-[2-[2-(3,5-difluorophenyl)ethylamino]ethoxy]ethanol
CID 62603880
5-[2-(3,5-difluorophenyl)ethylamino]pentan-1-ol
CID 62603706
3-[(3-fluorophenyl)methoxy]pyridazine
CID 171984777
2-(2-pyridin-4-ylethylamino)ethanol
CID 564407
3-naphthalen-2-yloxypyridazine
CID 91262966
2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 62315705
2-[2-(4-ethoxy-3-fluorophenyl)ethylamino]ethanol
CID 98014591
3-[2-(3,5-difluorophenyl)ethylamino]propanamide
CID 62605689

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoro-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol?
The IUPAC name of 2-[2-(3-fluoro-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol (CID 171653205) is 2-[2-(3-fluoro-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(3-fluoro-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol?
The canonical SMILES for 2-[2-(3-fluoro-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol is OCCNCCc1cc(F)cc(Oc2cccnn2)c1.
What is the InChIKey of 2-[2-(3-fluoro-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol?
The InChIKey is JBGBPAVBBAURGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c15-12-8-11(3-5-16-6-7-19)9-13(10-12)20-14-2-1-4-17-18-14/h1-2,4,8-10,16,19H,3,5-7H2.
What are the key properties of 2-[2-(3-fluoro-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol?
2-[2-(3-fluoro-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol has a molecular weight of 277.30 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoro-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol is sourced from PubChem (CID 171653205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).