N-(2-fluorophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine

C18H19FN2O — CID 126081286

IUPACN-(2-fluorophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine
SMILESCc1cc(N2CCOCC2)ccc1/C=N/c1ccccc1F
InChIInChI=1S/C18H19FN2O/c1-14-12-16(21-8-10-22-11-9-21)7-6-15(14)13-20-18-5-3-2-4-17(18)19/h2-7,12-13H,8-11H2,1H3/b20-13+
InChIKeyOHZZBOXGXIFTPW-DEDYPNTBSA-N
MW298.36 g/mol
LogP3.72
Rot. Bonds3

About N-(2-fluorophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine

N-(2-fluorophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine (PubChem CID 126081286) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine
PubChem CID126081286
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC NameN-(2-fluorophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine
SMILESCc1cc(N2CCOCC2)ccc1/C=N/c1ccccc1F
InChIInChI=1S/C18H19FN2O/c1-14-12-16(21-8-10-22-11-9-21)7-6-15(14)13-20-18-5-3-2-4-17(18)19/h2-7,12-13H,8-11H2,1H3/b20-13+
InChIKeyOHZZBOXGXIFTPW-DEDYPNTBSA-N
XLogP3.72
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine?
The IUPAC name of N-(2-fluorophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine (CID 126081286) is N-(2-fluorophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine.
What is the SMILES notation for N-(2-fluorophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine?
The canonical SMILES for N-(2-fluorophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine is Cc1cc(N2CCOCC2)ccc1/C=N/c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine?
The InChIKey is OHZZBOXGXIFTPW-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-14-12-16(21-8-10-22-11-9-21)7-6-15(14)13-20-18-5-3-2-4-17(18)19/h2-7,12-13H,8-11H2,1H3/b20-13+.
What are the key properties of N-(2-fluorophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine?
N-(2-fluorophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine has a molecular weight of 298.36 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine is sourced from PubChem (CID 126081286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).