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

C18H19FN2O2 — CID 126143320

IUPAC1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1
InChIInChI=1S/C18H19FN2O2/c1-22-16-5-3-15(4-6-16)20-13-14-2-7-18(17(19)12-14)21-8-10-23-11-9-21/h2-7,12-13H,8-11H2,1H3/b20-13+
InChIKeySWZRLBCAKQFIOJ-DEDYPNTBSA-N
MW314.36 g/mol
LogP3.42
Rot. Bonds4

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

1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methoxyphenyl)methanimine (PubChem CID 126143320) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methoxyphenyl)methanimine
PubChem CID126143320
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1
InChIInChI=1S/C18H19FN2O2/c1-22-16-5-3-15(4-6-16)20-13-14-2-7-18(17(19)12-14)21-8-10-23-11-9-21/h2-7,12-13H,8-11H2,1H3/b20-13+
InChIKeySWZRLBCAKQFIOJ-DEDYPNTBSA-N
XLogP3.42
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxyphenyl)methanimine?
The IUPAC name of 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methoxyphenyl)methanimine (CID 126143320) is 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methoxyphenyl)methanimine.
What is the SMILES notation for 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methoxyphenyl)methanimine?
The canonical SMILES for 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methoxyphenyl)methanimine is COc1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1.
What is the InChIKey of 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methoxyphenyl)methanimine?
The InChIKey is SWZRLBCAKQFIOJ-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-22-16-5-3-15(4-6-16)20-13-14-2-7-18(17(19)12-14)21-8-10-23-11-9-21/h2-7,12-13H,8-11H2,1H3/b20-13+.
What are the key properties of 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methoxyphenyl)methanimine?
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methoxyphenyl)methanimine has a molecular weight of 314.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 126143320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).