1-(2,4-dichlorophenyl)-N-(2-methylpropyl)ethanimine

C12H15Cl2N — CID 19695097

IUPAC1-(2,4-dichlorophenyl)-N-(2-methylpropyl)ethanimine
SMILESC/C(=N\CC(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2N/c1-8(2)7-15-9(3)11-5-4-10(13)6-12(11)14/h4-6,8H,7H2,1-3H3/b15-9+
InChIKeyMYEHNKKJYXTJLF-OQLLNIDSSA-N
MW244.16 g/mol
LogP4.46
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-N-(2-methylpropyl)ethanimine

1-(2,4-dichlorophenyl)-N-(2-methylpropyl)ethanimine (PubChem CID 19695097) has the molecular formula C12H15Cl2N and a molecular weight of 244.16 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(2-methylpropyl)ethanimine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(2-methylpropyl)ethanimine
PubChem CID19695097
Molecular FormulaC12H15Cl2N
Molecular Weight244.16 g/mol
Exact Mass243.06
IUPAC Name1-(2,4-dichlorophenyl)-N-(2-methylpropyl)ethanimine
SMILESC/C(=N\CC(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2N/c1-8(2)7-15-9(3)11-5-4-10(13)6-12(11)14/h4-6,8H,7H2,1-3H3/b15-9+
InChIKeyMYEHNKKJYXTJLF-OQLLNIDSSA-N
XLogP4.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(2-methylpropyl)ethanimine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(2-methylpropyl)ethanimine (CID 19695097) is 1-(2,4-dichlorophenyl)-N-(2-methylpropyl)ethanimine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(2-methylpropyl)ethanimine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(2-methylpropyl)ethanimine is C/C(=N\CC(C)C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(2-methylpropyl)ethanimine?
The InChIKey is MYEHNKKJYXTJLF-OQLLNIDSSA-N. The full InChI is InChI=1S/C12H15Cl2N/c1-8(2)7-15-9(3)11-5-4-10(13)6-12(11)14/h4-6,8H,7H2,1-3H3/b15-9+.
What are the key properties of 1-(2,4-dichlorophenyl)-N-(2-methylpropyl)ethanimine?
1-(2,4-dichlorophenyl)-N-(2-methylpropyl)ethanimine has a molecular weight of 244.16 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(2-methylpropyl)ethanimine is sourced from PubChem (CID 19695097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).