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

C21H24FN3O2 — CID 126129820

IUPAC1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
SMILESFc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1N1CCOCC1
InChIInChI=1S/C21H24FN3O2/c22-20-15-17(1-6-21(20)25-9-13-27-14-10-25)16-23-18-2-4-19(5-3-18)24-7-11-26-12-8-24/h1-6,15-16H,7-14H2/b23-16+
InChIKeyCHNVYUMRAHKIAN-XQNSMLJCSA-N
MW369.44 g/mol
LogP3.25
Rot. Bonds4

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

1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine (PubChem CID 126129820) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine.

Molecular Properties

Compound Name1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
PubChem CID126129820
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
SMILESFc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1N1CCOCC1
InChIInChI=1S/C21H24FN3O2/c22-20-15-17(1-6-21(20)25-9-13-27-14-10-25)16-23-18-2-4-19(5-3-18)24-7-11-26-12-8-24/h1-6,15-16H,7-14H2/b23-16+
InChIKeyCHNVYUMRAHKIAN-XQNSMLJCSA-N
XLogP3.25
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-morpholin-4-ylphenyl)methanimine?
The IUPAC name of 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine (CID 126129820) is 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine.
What is the SMILES notation for 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine?
The canonical SMILES for 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine is Fc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1N1CCOCC1.
What is the InChIKey of 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine?
The InChIKey is CHNVYUMRAHKIAN-XQNSMLJCSA-N. The full InChI is InChI=1S/C21H24FN3O2/c22-20-15-17(1-6-21(20)25-9-13-27-14-10-25)16-23-18-2-4-19(5-3-18)24-7-11-26-12-8-24/h1-6,15-16H,7-14H2/b23-16+.
What are the key properties of 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine?
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine has a molecular weight of 369.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine is sourced from PubChem (CID 126129820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).