2-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxyethanamine

C9H10Cl2N2O — CID 88522933

IUPAC2-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxyethanamine
SMILESNCCO/N=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C9H10Cl2N2O/c10-8-2-1-3-9(11)7(8)6-13-14-5-4-12/h1-3,6H,4-5,12H2/b13-6-
InChIKeyPITDHHCIYKPUQM-MLPAPPSSSA-N
MW233.10 g/mol
LogP2.30
Rot. Bonds4

About 2-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxyethanamine

2-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxyethanamine (PubChem CID 88522933) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is 2-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxyethanamine.

Molecular Properties

Compound Name2-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxyethanamine
PubChem CID88522933
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name2-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxyethanamine
SMILESNCCO/N=C\c1c(Cl)cccc1Cl
InChIInChI=1S/C9H10Cl2N2O/c10-8-2-1-3-9(11)7(8)6-13-14-5-4-12/h1-3,6H,4-5,12H2/b13-6-
InChIKeyPITDHHCIYKPUQM-MLPAPPSSSA-N
XLogP2.30
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxyethanamine?
The IUPAC name of 2-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxyethanamine (CID 88522933) is 2-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxyethanamine.
What is the SMILES notation for 2-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxyethanamine?
The canonical SMILES for 2-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxyethanamine is NCCO/N=C\c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxyethanamine?
The InChIKey is PITDHHCIYKPUQM-MLPAPPSSSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c10-8-2-1-3-9(11)7(8)6-13-14-5-4-12/h1-3,6H,4-5,12H2/b13-6-.
What are the key properties of 2-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxyethanamine?
2-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxyethanamine has a molecular weight of 233.10 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2,6-dichlorophenyl)methylideneamino]oxyethanamine is sourced from PubChem (CID 88522933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).