N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine

C₁₅H₁₃Cl₂NO₃ — CID 22680693

About N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine

N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine (PubChem CID 22680693) has the molecular formula C₁₅H₁₃Cl₂NO₃ and a molecular weight of 326.18 g/mol. Its IUPAC name is N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine.

Molecular Properties

• Compound Name: N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
• PubChem CID: 22680693
• Molecular Formula: C₁₅H₁₃Cl₂NO₃
• Molecular Weight: 326.18 g/mol
• Exact Mass: 325.03
• IUPAC Name: N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
• SMILES: COc1cccc(C=NO)c1OCc1c(Cl)cccc1Cl
• InChI: InChI=1S/C15H13Cl2NO3/c1-20-14-7-2-4-10(8-18-19)15(14)21-9-11-12(16)5-3-6-13(11)17/h2-8,19H,9H2,1H3
• InChIKey: VDDKHJRIUODTSZ-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 51.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.18
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine?

The IUPAC name of N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine (CID 22680693) is N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine.

What is the SMILES notation for N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine?

The canonical SMILES for N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine is COc1cccc(C=NO)c1OCc1c(Cl)cccc1Cl.

What is the InChIKey of N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine?

The InChIKey is VDDKHJRIUODTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3/c1-20-14-7-2-4-10(8-18-19)15(14)21-9-11-12(16)5-3-6-13(11)17/h2-8,19H,9H2,1H3.

What are the key properties of N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine?

N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine has a molecular weight of 326.18 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine is sourced from PubChem (CID 22680693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 22680693 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.