4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-2-phenylmorpholine

C21H20FN3O — CID 133379648

IUPAC4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-2-phenylmorpholine
SMILESCC1(c2ccccc2)CN(c2ccc(-c3ccc(F)cc3)nn2)CCO1
InChIInChI=1S/C21H20FN3O/c1-21(17-5-3-2-4-6-17)15-25(13-14-26-21)20-12-11-19(23-24-20)16-7-9-18(22)10-8-16/h2-12H,13-15H2,1H3
InChIKeyKGPYVMULDXEEMQ-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.03
Rot. Bonds3

About 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-2-phenylmorpholine

4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-2-phenylmorpholine (PubChem CID 133379648) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-2-phenylmorpholine.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-2-phenylmorpholine
PubChem CID133379648
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-2-phenylmorpholine
SMILESCC1(c2ccccc2)CN(c2ccc(-c3ccc(F)cc3)nn2)CCO1
InChIInChI=1S/C21H20FN3O/c1-21(17-5-3-2-4-6-17)15-25(13-14-26-21)20-12-11-19(23-24-20)16-7-9-18(22)10-8-16/h2-12H,13-15H2,1H3
InChIKeyKGPYVMULDXEEMQ-UHFFFAOYSA-N
XLogP4.03
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-phenyl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine
CID 133420103
4'-[6-(4-fluorophenyl)pyridazin-3-yl]spiro[1,2-dihydroindene-3,2'-morpholine]
CID 133413446
2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-2-phenylmorpholine
CID 133379484
2-methyl-2-phenyl-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 133379583
6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-2-carbonitrile
CID 133379490
2-methyl-1-[4-(6-phenylpyridazin-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
CID 131935603
6-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carboxamide
CID 133379493
4-(1H-benzimidazol-2-yl)-2-methyl-2-phenylmorpholine
CID 133410916
2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-4-methylquinoline
CID 108777251
2-(2-methyl-2-phenylmorpholin-4-yl)quinoline-6-carbonitrile
CID 166196558
1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-amine
CID 56770269
2-[2-(6-phenylpyridazin-3-yl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]acetic acid
CID 146043716

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-2-phenylmorpholine?
The IUPAC name of 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-2-phenylmorpholine (CID 133379648) is 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-2-phenylmorpholine.
What is the SMILES notation for 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-2-phenylmorpholine?
The canonical SMILES for 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-2-phenylmorpholine is CC1(c2ccccc2)CN(c2ccc(-c3ccc(F)cc3)nn2)CCO1.
What is the InChIKey of 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-2-phenylmorpholine?
The InChIKey is KGPYVMULDXEEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-21(17-5-3-2-4-6-17)15-25(13-14-26-21)20-12-11-19(23-24-20)16-7-9-18(22)10-8-16/h2-12H,13-15H2,1H3.
What are the key properties of 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-2-phenylmorpholine?
4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-2-phenylmorpholine has a molecular weight of 349.41 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-2-phenylmorpholine is sourced from PubChem (CID 133379648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).