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

C18H20N2O2 — CID 961175

IUPAC1-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
SMILESCOc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C18H20N2O2/c1-21-18-8-2-15(3-9-18)14-19-16-4-6-17(7-5-16)20-10-12-22-13-11-20/h2-9,14H,10-13H2,1H3/b19-14+
InChIKeyJJUUYUQBNWDVJQ-XMHGGMMESA-N
MW296.37 g/mol
LogP3.28
Rot. Bonds4

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

1-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine (PubChem CID 961175) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
PubChem CID961175
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
SMILESCOc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C18H20N2O2/c1-21-18-8-2-15(3-9-18)14-19-16-4-6-17(7-5-16)20-10-12-22-13-11-20/h2-9,14H,10-13H2,1H3/b19-14+
InChIKeyJJUUYUQBNWDVJQ-XMHGGMMESA-N
XLogP3.28
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine (CID 961175) is 1-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine is COc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine?
The InChIKey is JJUUYUQBNWDVJQ-XMHGGMMESA-N. The full InChI is InChI=1S/C18H20N2O2/c1-21-18-8-2-15(3-9-18)14-19-16-4-6-17(7-5-16)20-10-12-22-13-11-20/h2-9,14H,10-13H2,1H3/b19-14+.
What are the key properties of 1-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine?
1-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine has a molecular weight of 296.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine is sourced from PubChem (CID 961175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).