1-[6-(4-ethoxy-3-fluorophenyl)pyridazin-3-yl]-N-methylmethanamine

C14H16FN3O — CID 95467337

IUPAC1-[6-(4-ethoxy-3-fluorophenyl)pyridazin-3-yl]-N-methylmethanamine
SMILESCCOc1ccc(-c2ccc(CNC)nn2)cc1F
InChIInChI=1S/C14H16FN3O/c1-3-19-14-7-4-10(8-12(14)15)13-6-5-11(9-16-2)17-18-13/h4-8,16H,3,9H2,1-2H3
InChIKeyMQBXPXYTGQWDFK-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.40
Rot. Bonds5

About 1-[6-(4-ethoxy-3-fluorophenyl)pyridazin-3-yl]-N-methylmethanamine

1-[6-(4-ethoxy-3-fluorophenyl)pyridazin-3-yl]-N-methylmethanamine (PubChem CID 95467337) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-[6-(4-ethoxy-3-fluorophenyl)pyridazin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(4-ethoxy-3-fluorophenyl)pyridazin-3-yl]-N-methylmethanamine
PubChem CID95467337
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name1-[6-(4-ethoxy-3-fluorophenyl)pyridazin-3-yl]-N-methylmethanamine
SMILESCCOc1ccc(-c2ccc(CNC)nn2)cc1F
InChIInChI=1S/C14H16FN3O/c1-3-19-14-7-4-10(8-12(14)15)13-6-5-11(9-16-2)17-18-13/h4-8,16H,3,9H2,1-2H3
InChIKeyMQBXPXYTGQWDFK-UHFFFAOYSA-N
XLogP2.40
TPSA47.04 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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-ethoxy-3-fluorophenyl)pyridazin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-(4-ethoxy-3-fluorophenyl)pyridazin-3-yl]-N-methylmethanamine (CID 95467337) is 1-[6-(4-ethoxy-3-fluorophenyl)pyridazin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(4-ethoxy-3-fluorophenyl)pyridazin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(4-ethoxy-3-fluorophenyl)pyridazin-3-yl]-N-methylmethanamine is CCOc1ccc(-c2ccc(CNC)nn2)cc1F.
What is the InChIKey of 1-[6-(4-ethoxy-3-fluorophenyl)pyridazin-3-yl]-N-methylmethanamine?
The InChIKey is MQBXPXYTGQWDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-3-19-14-7-4-10(8-12(14)15)13-6-5-11(9-16-2)17-18-13/h4-8,16H,3,9H2,1-2H3.
What are the key properties of 1-[6-(4-ethoxy-3-fluorophenyl)pyridazin-3-yl]-N-methylmethanamine?
1-[6-(4-ethoxy-3-fluorophenyl)pyridazin-3-yl]-N-methylmethanamine has a molecular weight of 261.30 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-ethoxy-3-fluorophenyl)pyridazin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 95467337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).