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

C15H19N3O2 — CID 171653167

IUPAC2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol
SMILESCc1cc(CCNCCO)cc(Oc2cccnn2)c1
InChIInChI=1S/C15H19N3O2/c1-12-9-13(4-6-16-7-8-19)11-14(10-12)20-15-3-2-5-17-18-15/h2-3,5,9-11,16,19H,4,6-8H2,1H3
InChIKeyLEAIQFIDDWDUGK-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.70
Rot. Bonds7

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

2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol (PubChem CID 171653167) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol
PubChem CID171653167
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol
SMILESCc1cc(CCNCCO)cc(Oc2cccnn2)c1
InChIInChI=1S/C15H19N3O2/c1-12-9-13(4-6-16-7-8-19)11-14(10-12)20-15-3-2-5-17-18-15/h2-3,5,9-11,16,19H,4,6-8H2,1H3
InChIKeyLEAIQFIDDWDUGK-UHFFFAOYSA-N
XLogP1.70
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.70
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-fluoro-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol
CID 171653205
methylidene-[2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethyl]oxidanium
CID 171653159
molecular hydrogen;2-[2-(3-pyridin-2-yloxyphenyl)ethylamino]ethanol
CID 171653208
3-[(5-methyl-3-pyridinyl)oxy]pyridazine
CID 134117099
3-(3,5-dibromophenoxy)pyridazine
CID 91184335
3-naphthalen-2-yloxypyridazine
CID 91262966
2-(2-pyridin-4-ylethylamino)ethanol
CID 564407
(2S)-2-(3-methyl-5-pyridazin-3-yloxyphenyl)morpholine
CID 174291013
2-(2-hydroxyethylamino)ethanol;1,2-xylene
CID 174810256
3-(2,4,6-trimethylphenyl)pyridazine
CID 67379258
3-(6-bromonaphthalen-2-yl)oxypyridazine
CID 55079910
2-[2-(4-ethylphenyl)ethylamino]ethanol
CID 94679941

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol?
The IUPAC name of 2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol (CID 171653167) is 2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol?
The canonical SMILES for 2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol is Cc1cc(CCNCCO)cc(Oc2cccnn2)c1.
What is the InChIKey of 2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol?
The InChIKey is LEAIQFIDDWDUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-12-9-13(4-6-16-7-8-19)11-14(10-12)20-15-3-2-5-17-18-15/h2-3,5,9-11,16,19H,4,6-8H2,1H3.
What are the key properties of 2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol?
2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol has a molecular weight of 273.34 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methyl-5-pyridazin-3-yloxyphenyl)ethylamino]ethanol is sourced from PubChem (CID 171653167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).