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

C19H22N2O — CID 964463

IUPAC1-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
SMILESCCc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H22N2O/c1-2-16-3-5-17(6-4-16)15-20-18-7-9-19(10-8-18)21-11-13-22-14-12-21/h3-10,15H,2,11-14H2,1H3/b20-15+
InChIKeyKQOIITAYXUUGKZ-HMMYKYKNSA-N
MW294.40 g/mol
LogP3.84
Rot. Bonds4

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

1-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine (PubChem CID 964463) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
PubChem CID964463
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
SMILESCCc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H22N2O/c1-2-16-3-5-17(6-4-16)15-20-18-7-9-19(10-8-18)21-11-13-22-14-12-21/h3-10,15H,2,11-14H2,1H3/b20-15+
InChIKeyKQOIITAYXUUGKZ-HMMYKYKNSA-N
XLogP3.84
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ethylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine?
The IUPAC name of 1-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine (CID 964463) is 1-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine?
The canonical SMILES for 1-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine is CCc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine?
The InChIKey is KQOIITAYXUUGKZ-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-16-3-5-17(6-4-16)15-20-18-7-9-19(10-8-18)21-11-13-22-14-12-21/h3-10,15H,2,11-14H2,1H3/b20-15+.
What are the key properties of 1-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine?
1-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine has a molecular weight of 294.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine is sourced from PubChem (CID 964463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).