N-(4-morpholin-4-ylphenyl)-1-(4-propan-2-ylphenyl)methanimine

C20H24N2O — CID 3954542

IUPACN-(4-morpholin-4-ylphenyl)-1-(4-propan-2-ylphenyl)methanimine
SMILESCC(C)c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H24N2O/c1-16(2)18-5-3-17(4-6-18)15-21-19-7-9-20(10-8-19)22-11-13-23-14-12-22/h3-10,15-16H,11-14H2,1-2H3/b21-15+
InChIKeyNLDLPDKRXDLTEU-RCCKNPSSSA-N
MW308.43 g/mol
LogP4.40
Rot. Bonds4

About N-(4-morpholin-4-ylphenyl)-1-(4-propan-2-ylphenyl)methanimine

N-(4-morpholin-4-ylphenyl)-1-(4-propan-2-ylphenyl)methanimine (PubChem CID 3954542) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-1-(4-propan-2-ylphenyl)methanimine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-1-(4-propan-2-ylphenyl)methanimine
PubChem CID3954542
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-(4-morpholin-4-ylphenyl)-1-(4-propan-2-ylphenyl)methanimine
SMILESCC(C)c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H24N2O/c1-16(2)18-5-3-17(4-6-18)15-21-19-7-9-20(10-8-19)22-11-13-23-14-12-22/h3-10,15-16H,11-14H2,1-2H3/b21-15+
InChIKeyNLDLPDKRXDLTEU-RCCKNPSSSA-N
XLogP4.40
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.40
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 N-(4-morpholin-4-ylphenyl)-1-(4-propan-2-ylphenyl)methanimine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-1-(4-propan-2-ylphenyl)methanimine (CID 3954542) is N-(4-morpholin-4-ylphenyl)-1-(4-propan-2-ylphenyl)methanimine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-1-(4-propan-2-ylphenyl)methanimine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-1-(4-propan-2-ylphenyl)methanimine is CC(C)c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-1-(4-propan-2-ylphenyl)methanimine?
The InChIKey is NLDLPDKRXDLTEU-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H24N2O/c1-16(2)18-5-3-17(4-6-18)15-21-19-7-9-20(10-8-19)22-11-13-23-14-12-22/h3-10,15-16H,11-14H2,1-2H3/b21-15+.
What are the key properties of N-(4-morpholin-4-ylphenyl)-1-(4-propan-2-ylphenyl)methanimine?
N-(4-morpholin-4-ylphenyl)-1-(4-propan-2-ylphenyl)methanimine has a molecular weight of 308.43 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-1-(4-propan-2-ylphenyl)methanimine is sourced from PubChem (CID 3954542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).