4-[(2,6-dichlorophenyl)methylideneamino]-N-phenylaniline

C19H14Cl2N2 — CID 4506432

IUPAC4-[(2,6-dichlorophenyl)methylideneamino]-N-phenylaniline
SMILESClc1cccc(Cl)c1/C=N/c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H14Cl2N2/c20-18-7-4-8-19(21)17(18)13-22-14-9-11-16(12-10-14)23-15-5-2-1-3-6-15/h1-13,23H/b22-13+
InChIKeyRVLWAACOVKPMAX-LPYMAVHISA-N
MW341.24 g/mol
LogP6.49
Rot. Bonds4

About 4-[(2,6-dichlorophenyl)methylideneamino]-N-phenylaniline

4-[(2,6-dichlorophenyl)methylideneamino]-N-phenylaniline (PubChem CID 4506432) has the molecular formula C19H14Cl2N2 and a molecular weight of 341.24 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)methylideneamino]-N-phenylaniline.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)methylideneamino]-N-phenylaniline
PubChem CID4506432
Molecular FormulaC19H14Cl2N2
Molecular Weight341.24 g/mol
Exact Mass340.05
IUPAC Name4-[(2,6-dichlorophenyl)methylideneamino]-N-phenylaniline
SMILESClc1cccc(Cl)c1/C=N/c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H14Cl2N2/c20-18-7-4-8-19(21)17(18)13-22-14-9-11-16(12-10-14)23-15-5-2-1-3-6-15/h1-13,23H/b22-13+
InChIKeyRVLWAACOVKPMAX-LPYMAVHISA-N
XLogP6.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.24
LogP ≤ 56.49
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-[(2,6-dichlorophenyl)methylideneamino]-N-phenylaniline?
The IUPAC name of 4-[(2,6-dichlorophenyl)methylideneamino]-N-phenylaniline (CID 4506432) is 4-[(2,6-dichlorophenyl)methylideneamino]-N-phenylaniline.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)methylideneamino]-N-phenylaniline?
The canonical SMILES for 4-[(2,6-dichlorophenyl)methylideneamino]-N-phenylaniline is Clc1cccc(Cl)c1/C=N/c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 4-[(2,6-dichlorophenyl)methylideneamino]-N-phenylaniline?
The InChIKey is RVLWAACOVKPMAX-LPYMAVHISA-N. The full InChI is InChI=1S/C19H14Cl2N2/c20-18-7-4-8-19(21)17(18)13-22-14-9-11-16(12-10-14)23-15-5-2-1-3-6-15/h1-13,23H/b22-13+.
What are the key properties of 4-[(2,6-dichlorophenyl)methylideneamino]-N-phenylaniline?
4-[(2,6-dichlorophenyl)methylideneamino]-N-phenylaniline has a molecular weight of 341.24 g/mol, XLogP of 6.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorophenyl)methylideneamino]-N-phenylaniline is sourced from PubChem (CID 4506432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).