N-tert-butyl-1-(2,4-dichlorophenyl)methanimine

C11H13Cl2N — CID 15254042

IUPACN-tert-butyl-1-(2,4-dichlorophenyl)methanimine
SMILESCC(C)(C)/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2N/c1-11(2,3)14-7-8-4-5-9(12)6-10(8)13/h4-7H,1-3H3/b14-7+
InChIKeyIIQVAQCLDMIJGD-VGOFMYFVSA-N
MW230.14 g/mol
LogP4.21
Rot. Bonds1

About N-tert-butyl-1-(2,4-dichlorophenyl)methanimine

N-tert-butyl-1-(2,4-dichlorophenyl)methanimine (PubChem CID 15254042) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is N-tert-butyl-1-(2,4-dichlorophenyl)methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-(2,4-dichlorophenyl)methanimine
PubChem CID15254042
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC NameN-tert-butyl-1-(2,4-dichlorophenyl)methanimine
SMILESCC(C)(C)/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2N/c1-11(2,3)14-7-8-4-5-9(12)6-10(8)13/h4-7H,1-3H3/b14-7+
InChIKeyIIQVAQCLDMIJGD-VGOFMYFVSA-N
XLogP4.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 54.21
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 N-tert-butyl-1-(2,4-dichlorophenyl)methanimine?
The IUPAC name of N-tert-butyl-1-(2,4-dichlorophenyl)methanimine (CID 15254042) is N-tert-butyl-1-(2,4-dichlorophenyl)methanimine.
What is the SMILES notation for N-tert-butyl-1-(2,4-dichlorophenyl)methanimine?
The canonical SMILES for N-tert-butyl-1-(2,4-dichlorophenyl)methanimine is CC(C)(C)/N=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of N-tert-butyl-1-(2,4-dichlorophenyl)methanimine?
The InChIKey is IIQVAQCLDMIJGD-VGOFMYFVSA-N. The full InChI is InChI=1S/C11H13Cl2N/c1-11(2,3)14-7-8-4-5-9(12)6-10(8)13/h4-7H,1-3H3/b14-7+.
What are the key properties of N-tert-butyl-1-(2,4-dichlorophenyl)methanimine?
N-tert-butyl-1-(2,4-dichlorophenyl)methanimine has a molecular weight of 230.14 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(2,4-dichlorophenyl)methanimine is sourced from PubChem (CID 15254042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).