4-tert-butyl-N-(4-tert-butylphenyl)-2,6-dimethylaniline

C22H31N — CID 146643062

IUPAC4-tert-butyl-N-(4-tert-butylphenyl)-2,6-dimethylaniline
SMILESCc1cc(C(C)(C)C)cc(C)c1Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H31N/c1-15-13-18(22(6,7)8)14-16(2)20(15)23-19-11-9-17(10-12-19)21(3,4)5/h9-14,23H,1-8H3
InChIKeyWMPJOFOKFYDCFO-UHFFFAOYSA-N
MW309.50 g/mol
LogP6.64
Rot. Bonds2

About 4-tert-butyl-N-(4-tert-butylphenyl)-2,6-dimethylaniline

4-tert-butyl-N-(4-tert-butylphenyl)-2,6-dimethylaniline (PubChem CID 146643062) has the molecular formula C22H31N and a molecular weight of 309.50 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-tert-butylphenyl)-2,6-dimethylaniline.

Molecular Properties

Compound Name4-tert-butyl-N-(4-tert-butylphenyl)-2,6-dimethylaniline
PubChem CID146643062
Molecular FormulaC22H31N
Molecular Weight309.50 g/mol
Exact Mass309.25
IUPAC Name4-tert-butyl-N-(4-tert-butylphenyl)-2,6-dimethylaniline
SMILESCc1cc(C(C)(C)C)cc(C)c1Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H31N/c1-15-13-18(22(6,7)8)14-16(2)20(15)23-19-11-9-17(10-12-19)21(3,4)5/h9-14,23H,1-8H3
InChIKeyWMPJOFOKFYDCFO-UHFFFAOYSA-N
XLogP6.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.50
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-tert-butyl-N-(4-tert-butylphenyl)-2,6-dimethylaniline 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 4-tert-butyl-N-(4-tert-butylphenyl)-2,6-dimethylaniline?
The IUPAC name of 4-tert-butyl-N-(4-tert-butylphenyl)-2,6-dimethylaniline (CID 146643062) is 4-tert-butyl-N-(4-tert-butylphenyl)-2,6-dimethylaniline.
What is the SMILES notation for 4-tert-butyl-N-(4-tert-butylphenyl)-2,6-dimethylaniline?
The canonical SMILES for 4-tert-butyl-N-(4-tert-butylphenyl)-2,6-dimethylaniline is Cc1cc(C(C)(C)C)cc(C)c1Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-tert-butylphenyl)-2,6-dimethylaniline?
The InChIKey is WMPJOFOKFYDCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N/c1-15-13-18(22(6,7)8)14-16(2)20(15)23-19-11-9-17(10-12-19)21(3,4)5/h9-14,23H,1-8H3.
What are the key properties of 4-tert-butyl-N-(4-tert-butylphenyl)-2,6-dimethylaniline?
4-tert-butyl-N-(4-tert-butylphenyl)-2,6-dimethylaniline has a molecular weight of 309.50 g/mol, XLogP of 6.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-tert-butylphenyl)-2,6-dimethylaniline is sourced from PubChem (CID 146643062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).