2-[(E)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine

C17H18Cl2N2O — CID 6912374

IUPAC2-[(E)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine
SMILESCN(C)CCO/N=C(\c1cccc(Cl)c1)c1ccccc1Cl
InChIInChI=1S/C17H18Cl2N2O/c1-21(2)10-11-22-20-17(13-6-5-7-14(18)12-13)15-8-3-4-9-16(15)19/h3-9,12H,10-11H2,1-2H3/b20-17+
InChIKeyZDKKOFGTLULLQD-LVZFUZTISA-N
MW337.25 g/mol
LogP4.32
Rot. Bonds6

About 2-[(E)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine

2-[(E)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine (PubChem CID 6912374) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 2-[(E)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(E)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine
PubChem CID6912374
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name2-[(E)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine
SMILESCN(C)CCO/N=C(\c1cccc(Cl)c1)c1ccccc1Cl
InChIInChI=1S/C17H18Cl2N2O/c1-21(2)10-11-22-20-17(13-6-5-7-14(18)12-13)15-8-3-4-9-16(15)19/h3-9,12H,10-11H2,1-2H3/b20-17+
InChIKeyZDKKOFGTLULLQD-LVZFUZTISA-N
XLogP4.32
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.32
H-Bond Donors ≤ 50
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-[(E)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[(E)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine (CID 6912374) is 2-[(E)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(E)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[(E)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine is CN(C)CCO/N=C(\c1cccc(Cl)c1)c1ccccc1Cl.
What is the InChIKey of 2-[(E)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine?
The InChIKey is ZDKKOFGTLULLQD-LVZFUZTISA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-21(2)10-11-22-20-17(13-6-5-7-14(18)12-13)15-8-3-4-9-16(15)19/h3-9,12H,10-11H2,1-2H3/b20-17+.
What are the key properties of 2-[(E)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine?
2-[(E)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine has a molecular weight of 337.25 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(2-chlorophenyl)-(3-chlorophenyl)methylidene]amino]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 6912374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).