1-[4-(diethylamino)phenyl]-N-(4-propan-2-ylphenyl)methanimine oxide

C20H26N2O — CID 139603367

IUPAC1-[4-(diethylamino)phenyl]-N-(4-propan-2-ylphenyl)methanimine oxide
SMILESCCN(CC)c1ccc(C=[N+]([O-])c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O/c1-5-21(6-2)19-11-7-17(8-12-19)15-22(23)20-13-9-18(10-14-20)16(3)4/h7-16H,5-6H2,1-4H3
InChIKeySYNPUNBTCBPYDD-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.92
Rot. Bonds6

About 1-[4-(diethylamino)phenyl]-N-(4-propan-2-ylphenyl)methanimine oxide

1-[4-(diethylamino)phenyl]-N-(4-propan-2-ylphenyl)methanimine oxide (PubChem CID 139603367) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-N-(4-propan-2-ylphenyl)methanimine oxide.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-N-(4-propan-2-ylphenyl)methanimine oxide
PubChem CID139603367
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-[4-(diethylamino)phenyl]-N-(4-propan-2-ylphenyl)methanimine oxide
SMILESCCN(CC)c1ccc(C=[N+]([O-])c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C20H26N2O/c1-5-21(6-2)19-11-7-17(8-12-19)15-22(23)20-13-9-18(10-14-20)16(3)4/h7-16H,5-6H2,1-4H3
InChIKeySYNPUNBTCBPYDD-UHFFFAOYSA-N
XLogP4.92
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-N-(4-propan-2-ylphenyl)methanimine oxide?
The IUPAC name of 1-[4-(diethylamino)phenyl]-N-(4-propan-2-ylphenyl)methanimine oxide (CID 139603367) is 1-[4-(diethylamino)phenyl]-N-(4-propan-2-ylphenyl)methanimine oxide.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-N-(4-propan-2-ylphenyl)methanimine oxide?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-N-(4-propan-2-ylphenyl)methanimine oxide is CCN(CC)c1ccc(C=[N+]([O-])c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-N-(4-propan-2-ylphenyl)methanimine oxide?
The InChIKey is SYNPUNBTCBPYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-5-21(6-2)19-11-7-17(8-12-19)15-22(23)20-13-9-18(10-14-20)16(3)4/h7-16H,5-6H2,1-4H3.
What are the key properties of 1-[4-(diethylamino)phenyl]-N-(4-propan-2-ylphenyl)methanimine oxide?
1-[4-(diethylamino)phenyl]-N-(4-propan-2-ylphenyl)methanimine oxide has a molecular weight of 310.44 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-N-(4-propan-2-ylphenyl)methanimine oxide is sourced from PubChem (CID 139603367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).