2-[(2,6-dichloro-4-methoxyphenyl)methylideneamino]ethanimidamide

C10H11Cl2N3O — CID 158087991

IUPAC2-[(2,6-dichloro-4-methoxyphenyl)methylideneamino]ethanimidamide
SMILES[H]/N=C(\N)C/N=C/c1c(Cl)cc(OC)cc1Cl
InChIInChI=1S/C10H11Cl2N3O/c1-16-6-2-8(11)7(9(12)3-6)4-15-5-10(13)14/h2-4H,5H2,1H3,(H3,13,14)/b15-4+
InChIKeyLLGINIFLKRCPNU-SYZQJQIISA-N
MW260.12 g/mol
LogP2.36
Rot. Bonds4

About 2-[(2,6-dichloro-4-methoxyphenyl)methylideneamino]ethanimidamide

2-[(2,6-dichloro-4-methoxyphenyl)methylideneamino]ethanimidamide (PubChem CID 158087991) has the molecular formula C10H11Cl2N3O and a molecular weight of 260.12 g/mol. Its IUPAC name is 2-[(2,6-dichloro-4-methoxyphenyl)methylideneamino]ethanimidamide.

Molecular Properties

Compound Name2-[(2,6-dichloro-4-methoxyphenyl)methylideneamino]ethanimidamide
PubChem CID158087991
Molecular FormulaC10H11Cl2N3O
Molecular Weight260.12 g/mol
Exact Mass259.03
IUPAC Name2-[(2,6-dichloro-4-methoxyphenyl)methylideneamino]ethanimidamide
SMILES[H]/N=C(\N)C/N=C/c1c(Cl)cc(OC)cc1Cl
InChIInChI=1S/C10H11Cl2N3O/c1-16-6-2-8(11)7(9(12)3-6)4-15-5-10(13)14/h2-4H,5H2,1H3,(H3,13,14)/b15-4+
InChIKeyLLGINIFLKRCPNU-SYZQJQIISA-N
XLogP2.36
TPSA71.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichloro-4-methoxyphenyl)methylideneamino]ethanimidamide?
The IUPAC name of 2-[(2,6-dichloro-4-methoxyphenyl)methylideneamino]ethanimidamide (CID 158087991) is 2-[(2,6-dichloro-4-methoxyphenyl)methylideneamino]ethanimidamide.
What is the SMILES notation for 2-[(2,6-dichloro-4-methoxyphenyl)methylideneamino]ethanimidamide?
The canonical SMILES for 2-[(2,6-dichloro-4-methoxyphenyl)methylideneamino]ethanimidamide is [H]/N=C(\N)C/N=C/c1c(Cl)cc(OC)cc1Cl.
What is the InChIKey of 2-[(2,6-dichloro-4-methoxyphenyl)methylideneamino]ethanimidamide?
The InChIKey is LLGINIFLKRCPNU-SYZQJQIISA-N. The full InChI is InChI=1S/C10H11Cl2N3O/c1-16-6-2-8(11)7(9(12)3-6)4-15-5-10(13)14/h2-4H,5H2,1H3,(H3,13,14)/b15-4+.
What are the key properties of 2-[(2,6-dichloro-4-methoxyphenyl)methylideneamino]ethanimidamide?
2-[(2,6-dichloro-4-methoxyphenyl)methylideneamino]ethanimidamide has a molecular weight of 260.12 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichloro-4-methoxyphenyl)methylideneamino]ethanimidamide is sourced from PubChem (CID 158087991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).