2-[2,4-bis(4-methylphenyl)phenyl]ethanimine

C22H21N — CID 57054475

IUPAC2-[2,4-bis(4-methylphenyl)phenyl]ethanimine
SMILES[H]/N=C/Cc1ccc(-c2ccc(C)cc2)cc1-c1ccc(C)cc1
InChIInChI=1S/C22H21N/c1-16-3-7-18(8-4-16)21-12-11-20(13-14-23)22(15-21)19-9-5-17(2)6-10-19/h3-12,14-15,23H,13H2,1-2H3/b23-14+
InChIKeyQMVVGWBBVORYTK-OEAKJJBVSA-N
MW299.42 g/mol
LogP5.83
Rot. Bonds4

About 2-[2,4-bis(4-methylphenyl)phenyl]ethanimine

2-[2,4-bis(4-methylphenyl)phenyl]ethanimine (PubChem CID 57054475) has the molecular formula C22H21N and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[2,4-bis(4-methylphenyl)phenyl]ethanimine.

Molecular Properties

Compound Name2-[2,4-bis(4-methylphenyl)phenyl]ethanimine
PubChem CID57054475
Molecular FormulaC22H21N
Molecular Weight299.42 g/mol
Exact Mass299.17
IUPAC Name2-[2,4-bis(4-methylphenyl)phenyl]ethanimine
SMILES[H]/N=C/Cc1ccc(-c2ccc(C)cc2)cc1-c1ccc(C)cc1
InChIInChI=1S/C22H21N/c1-16-3-7-18(8-4-16)21-12-11-20(13-14-23)22(15-21)19-9-5-17(2)6-10-19/h3-12,14-15,23H,13H2,1-2H3/b23-14+
InChIKeyQMVVGWBBVORYTK-OEAKJJBVSA-N
XLogP5.83
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.42
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-[2,4-bis(4-methylphenyl)phenyl]ethanimine?
The IUPAC name of 2-[2,4-bis(4-methylphenyl)phenyl]ethanimine (CID 57054475) is 2-[2,4-bis(4-methylphenyl)phenyl]ethanimine.
What is the SMILES notation for 2-[2,4-bis(4-methylphenyl)phenyl]ethanimine?
The canonical SMILES for 2-[2,4-bis(4-methylphenyl)phenyl]ethanimine is [H]/N=C/Cc1ccc(-c2ccc(C)cc2)cc1-c1ccc(C)cc1.
What is the InChIKey of 2-[2,4-bis(4-methylphenyl)phenyl]ethanimine?
The InChIKey is QMVVGWBBVORYTK-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H21N/c1-16-3-7-18(8-4-16)21-12-11-20(13-14-23)22(15-21)19-9-5-17(2)6-10-19/h3-12,14-15,23H,13H2,1-2H3/b23-14+.
What are the key properties of 2-[2,4-bis(4-methylphenyl)phenyl]ethanimine?
2-[2,4-bis(4-methylphenyl)phenyl]ethanimine has a molecular weight of 299.42 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(4-methylphenyl)phenyl]ethanimine is sourced from PubChem (CID 57054475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).