1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methylphenyl)methanimine

C18H19FN2O — CID 126135963

IUPAC1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methylphenyl)methanimine
SMILESCc1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1
InChIInChI=1S/C18H19FN2O/c1-14-2-5-16(6-3-14)20-13-15-4-7-18(17(19)12-15)21-8-10-22-11-9-21/h2-7,12-13H,8-11H2,1H3/b20-13+
InChIKeyVPEZCGHUDHEPOT-DEDYPNTBSA-N
MW298.36 g/mol
LogP3.72
Rot. Bonds3

About 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methylphenyl)methanimine

1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methylphenyl)methanimine (PubChem CID 126135963) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methylphenyl)methanimine
PubChem CID126135963
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methylphenyl)methanimine
SMILESCc1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1
InChIInChI=1S/C18H19FN2O/c1-14-2-5-16(6-3-14)20-13-15-4-7-18(17(19)12-15)21-8-10-22-11-9-21/h2-7,12-13H,8-11H2,1H3/b20-13+
InChIKeyVPEZCGHUDHEPOT-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 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methylphenyl)methanimine?
The IUPAC name of 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methylphenyl)methanimine (CID 126135963) is 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methylphenyl)methanimine.
What is the SMILES notation for 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methylphenyl)methanimine?
The canonical SMILES for 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methylphenyl)methanimine is Cc1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1.
What is the InChIKey of 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methylphenyl)methanimine?
The InChIKey is VPEZCGHUDHEPOT-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-14-2-5-16(6-3-14)20-13-15-4-7-18(17(19)12-15)21-8-10-22-11-9-21/h2-7,12-13H,8-11H2,1H3/b20-13+.
What are the key properties of 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methylphenyl)methanimine?
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methylphenyl)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 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methylphenyl)methanimine is sourced from PubChem (CID 126135963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).