N-tert-butyl-1-(4-chlorophenyl)methanimine

C11H14ClN — CID 11424127

IUPACN-tert-butyl-1-(4-chlorophenyl)methanimine
SMILESCC(C)(C)/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN/c1-11(2,3)13-8-9-4-6-10(12)7-5-9/h4-8H,1-3H3/b13-8+
InChIKeyOONSYTDBEUQPGN-MDWZMJQESA-N
MW195.69 g/mol
LogP3.56
Rot. Bonds1

About N-tert-butyl-1-(4-chlorophenyl)methanimine

N-tert-butyl-1-(4-chlorophenyl)methanimine (PubChem CID 11424127) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is N-tert-butyl-1-(4-chlorophenyl)methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-(4-chlorophenyl)methanimine
PubChem CID11424127
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC NameN-tert-butyl-1-(4-chlorophenyl)methanimine
SMILESCC(C)(C)/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClN/c1-11(2,3)13-8-9-4-6-10(12)7-5-9/h4-8H,1-3H3/b13-8+
InChIKeyOONSYTDBEUQPGN-MDWZMJQESA-N
XLogP3.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-tert-butyl-1-(4-chlorophenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(4-chlorophenyl)methanimine?
The IUPAC name of N-tert-butyl-1-(4-chlorophenyl)methanimine (CID 11424127) is N-tert-butyl-1-(4-chlorophenyl)methanimine.
What is the SMILES notation for N-tert-butyl-1-(4-chlorophenyl)methanimine?
The canonical SMILES for N-tert-butyl-1-(4-chlorophenyl)methanimine is CC(C)(C)/N=C/c1ccc(Cl)cc1.
What is the InChIKey of N-tert-butyl-1-(4-chlorophenyl)methanimine?
The InChIKey is OONSYTDBEUQPGN-MDWZMJQESA-N. The full InChI is InChI=1S/C11H14ClN/c1-11(2,3)13-8-9-4-6-10(12)7-5-9/h4-8H,1-3H3/b13-8+.
What are the key properties of N-tert-butyl-1-(4-chlorophenyl)methanimine?
N-tert-butyl-1-(4-chlorophenyl)methanimine has a molecular weight of 195.69 g/mol, XLogP of 3.56, 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-(4-chlorophenyl)methanimine is sourced from PubChem (CID 11424127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).