4-[(4-methylphenyl)methylideneamino]-N-phenylaniline

C20H18N2 — CID 1381213

IUPAC4-[(4-methylphenyl)methylideneamino]-N-phenylaniline
SMILESCc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C20H18N2/c1-16-7-9-17(10-8-16)15-21-18-11-13-20(14-12-18)22-19-5-3-2-4-6-19/h2-15,22H,1H3/b21-15+
InChIKeyVVDDGCZRPZVZGP-RCCKNPSSSA-N
MW286.38 g/mol
LogP5.49
Rot. Bonds4

About 4-[(4-methylphenyl)methylideneamino]-N-phenylaniline

4-[(4-methylphenyl)methylideneamino]-N-phenylaniline (PubChem CID 1381213) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methylideneamino]-N-phenylaniline.

Molecular Properties

Compound Name4-[(4-methylphenyl)methylideneamino]-N-phenylaniline
PubChem CID1381213
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Name4-[(4-methylphenyl)methylideneamino]-N-phenylaniline
SMILESCc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C20H18N2/c1-16-7-9-17(10-8-16)15-21-18-11-13-20(14-12-18)22-19-5-3-2-4-6-19/h2-15,22H,1H3/b21-15+
InChIKeyVVDDGCZRPZVZGP-RCCKNPSSSA-N
XLogP5.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.38
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-[(4-methylphenyl)methylideneamino]-N-phenylaniline?
The IUPAC name of 4-[(4-methylphenyl)methylideneamino]-N-phenylaniline (CID 1381213) is 4-[(4-methylphenyl)methylideneamino]-N-phenylaniline.
What is the SMILES notation for 4-[(4-methylphenyl)methylideneamino]-N-phenylaniline?
The canonical SMILES for 4-[(4-methylphenyl)methylideneamino]-N-phenylaniline is Cc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methylideneamino]-N-phenylaniline?
The InChIKey is VVDDGCZRPZVZGP-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H18N2/c1-16-7-9-17(10-8-16)15-21-18-11-13-20(14-12-18)22-19-5-3-2-4-6-19/h2-15,22H,1H3/b21-15+.
What are the key properties of 4-[(4-methylphenyl)methylideneamino]-N-phenylaniline?
4-[(4-methylphenyl)methylideneamino]-N-phenylaniline has a molecular weight of 286.38 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methylideneamino]-N-phenylaniline is sourced from PubChem (CID 1381213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).