1-(2,6-dichlorophenyl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine

C22H18Cl4N2O2 — CID 19059944

About 1-(2,6-dichlorophenyl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine

1-(2,6-dichlorophenyl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine (PubChem CID 19059944) has the molecular formula C22H18Cl4N2O2 and a molecular weight of 484.21 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine.

Molecular Properties

• Compound Name: 1-(2,6-dichlorophenyl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine
• PubChem CID: 19059944
• Molecular Formula: C22H18Cl4N2O2
• Molecular Weight: 484.21 g/mol
• Exact Mass: 482.01
• IUPAC Name: 1-(2,6-dichlorophenyl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine
• SMILES: COc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OCc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C22H18Cl4N2O2/c1-29-22-9-14(11-27-28-12-17-18(24)3-2-4-19(17)25)5-8-21(22)30-13-15-6-7-16(23)10-20(15)26/h2-11,28H,12-13H2,1H3/b27-11+
• InChIKey: GJBJZDFIVKLNJI-LUOAPIJWSA-N
• XLogP: 7.01
• TPSA: 42.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.21
LogP ≤ 5	7.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine?

The IUPAC name of 1-(2,6-dichlorophenyl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine (CID 19059944) is 1-(2,6-dichlorophenyl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine.

What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine?

The canonical SMILES for 1-(2,6-dichlorophenyl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine is COc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OCc1ccc(Cl)cc1Cl.

What is the InChIKey of 1-(2,6-dichlorophenyl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine?

The InChIKey is GJBJZDFIVKLNJI-LUOAPIJWSA-N. The full InChI is InChI=1S/C22H18Cl4N2O2/c1-29-22-9-14(11-27-28-12-17-18(24)3-2-4-19(17)25)5-8-21(22)30-13-15-6-7-16(23)10-20(15)26/h2-11,28H,12-13H2,1H3/b27-11+.

What are the key properties of 1-(2,6-dichlorophenyl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine?

1-(2,6-dichlorophenyl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine has a molecular weight of 484.21 g/mol, XLogP of 7.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-dichlorophenyl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine is sourced from PubChem (CID 19059944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).