(E)-1-(2,6-dichlorophenyl)-N-ethoxypropan-2-imine

C11H13Cl2NO — CID 163358824

IUPAC(E)-1-(2,6-dichlorophenyl)-N-ethoxypropan-2-imine
SMILESCCO/N=C(\C)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2NO/c1-3-15-14-8(2)7-9-10(12)5-4-6-11(9)13/h4-6H,3,7H2,1-2H3/b14-8+
InChIKeyVGRBRJSLLZTRFD-RIYZIHGNSA-N
MW246.14 g/mol
LogP3.95
Rot. Bonds4

About (E)-1-(2,6-dichlorophenyl)-N-ethoxypropan-2-imine

(E)-1-(2,6-dichlorophenyl)-N-ethoxypropan-2-imine (PubChem CID 163358824) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is (E)-1-(2,6-dichlorophenyl)-N-ethoxypropan-2-imine.

Molecular Properties

Compound Name(E)-1-(2,6-dichlorophenyl)-N-ethoxypropan-2-imine
PubChem CID163358824
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name(E)-1-(2,6-dichlorophenyl)-N-ethoxypropan-2-imine
SMILESCCO/N=C(\C)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2NO/c1-3-15-14-8(2)7-9-10(12)5-4-6-11(9)13/h4-6H,3,7H2,1-2H3/b14-8+
InChIKeyVGRBRJSLLZTRFD-RIYZIHGNSA-N
XLogP3.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (E)-1-(2,6-dichlorophenyl)-N-ethoxypropan-2-imine?
The IUPAC name of (E)-1-(2,6-dichlorophenyl)-N-ethoxypropan-2-imine (CID 163358824) is (E)-1-(2,6-dichlorophenyl)-N-ethoxypropan-2-imine.
What is the SMILES notation for (E)-1-(2,6-dichlorophenyl)-N-ethoxypropan-2-imine?
The canonical SMILES for (E)-1-(2,6-dichlorophenyl)-N-ethoxypropan-2-imine is CCO/N=C(\C)Cc1c(Cl)cccc1Cl.
What is the InChIKey of (E)-1-(2,6-dichlorophenyl)-N-ethoxypropan-2-imine?
The InChIKey is VGRBRJSLLZTRFD-RIYZIHGNSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-3-15-14-8(2)7-9-10(12)5-4-6-11(9)13/h4-6H,3,7H2,1-2H3/b14-8+.
What are the key properties of (E)-1-(2,6-dichlorophenyl)-N-ethoxypropan-2-imine?
(E)-1-(2,6-dichlorophenyl)-N-ethoxypropan-2-imine has a molecular weight of 246.14 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,6-dichlorophenyl)-N-ethoxypropan-2-imine is sourced from PubChem (CID 163358824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).