2-(4-ethoxy-3-fluorophenyl)-2-pyridazin-3-ylethanamine

C14H16FN3O — CID 116833589

IUPAC2-(4-ethoxy-3-fluorophenyl)-2-pyridazin-3-ylethanamine
SMILESCCOc1ccc(C(CN)c2cccnn2)cc1F
InChIInChI=1S/C14H16FN3O/c1-2-19-14-6-5-10(8-12(14)15)11(9-16)13-4-3-7-17-18-13/h3-8,11H,2,9,16H2,1H3
InChIKeyZKASQJNHILZBLI-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.11
Rot. Bonds5

About 2-(4-ethoxy-3-fluorophenyl)-2-pyridazin-3-ylethanamine

2-(4-ethoxy-3-fluorophenyl)-2-pyridazin-3-ylethanamine (PubChem CID 116833589) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-(4-ethoxy-3-fluorophenyl)-2-pyridazin-3-ylethanamine.

Molecular Properties

Compound Name2-(4-ethoxy-3-fluorophenyl)-2-pyridazin-3-ylethanamine
PubChem CID116833589
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name2-(4-ethoxy-3-fluorophenyl)-2-pyridazin-3-ylethanamine
SMILESCCOc1ccc(C(CN)c2cccnn2)cc1F
InChIInChI=1S/C14H16FN3O/c1-2-19-14-6-5-10(8-12(14)15)11(9-16)13-4-3-7-17-18-13/h3-8,11H,2,9,16H2,1H3
InChIKeyZKASQJNHILZBLI-UHFFFAOYSA-N
XLogP2.11
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-fluorophenyl)-2-pyridazin-3-ylethanamine?
The IUPAC name of 2-(4-ethoxy-3-fluorophenyl)-2-pyridazin-3-ylethanamine (CID 116833589) is 2-(4-ethoxy-3-fluorophenyl)-2-pyridazin-3-ylethanamine.
What is the SMILES notation for 2-(4-ethoxy-3-fluorophenyl)-2-pyridazin-3-ylethanamine?
The canonical SMILES for 2-(4-ethoxy-3-fluorophenyl)-2-pyridazin-3-ylethanamine is CCOc1ccc(C(CN)c2cccnn2)cc1F.
What is the InChIKey of 2-(4-ethoxy-3-fluorophenyl)-2-pyridazin-3-ylethanamine?
The InChIKey is ZKASQJNHILZBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-2-19-14-6-5-10(8-12(14)15)11(9-16)13-4-3-7-17-18-13/h3-8,11H,2,9,16H2,1H3.
What are the key properties of 2-(4-ethoxy-3-fluorophenyl)-2-pyridazin-3-ylethanamine?
2-(4-ethoxy-3-fluorophenyl)-2-pyridazin-3-ylethanamine has a molecular weight of 261.30 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-fluorophenyl)-2-pyridazin-3-ylethanamine is sourced from PubChem (CID 116833589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).