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

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Related Compounds

N-(4-tert-butyl-2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 167171498
4-N-(4-tert-butylphenyl)-2-methylbenzene-1,4-diamine
CID 43436257
N-(4-tert-butylphenyl)-2,3,5-trimethylaniline
CID 166974485
(4-tert-butylphenyl)hydrazine
CID 2773676
4-tert-butyl-N-(4-chlorophenyl)aniline
CID 15533800
N-(4-tert-butylphenyl)-2,6-diethylaniline
CID 176876729
2-N-(4-tert-butylphenyl)-3-methylpyridine-2,5-diamine
CID 55187303
4-tert-butyl-N-[(3,4-dimethylphenyl)methyl]aniline
CID 43758536
4-N-(4-tert-butylphenyl)benzene-1,2,4-triamine
CID 106750291
4-N,6-N-bis(4-tert-butylphenyl)pyrimidine-2,4,6-triamine
CID 101085708
4-[4,6-bis[4-(4-tert-butylanilino)phenyl]-1,3,5-triazin-2-yl]-N-(4-tert-butylphenyl)aniline
CID 163749792
N-[(4-tert-butylphenyl)methyl]-3,4-dimethylaniline
CID 28524513

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).