N,4-ditert-butyl-N-(4-tert-butylphenyl)aniline

C24H35N — CID 90222675

IUPACN,4-ditert-butyl-N-(4-tert-butylphenyl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)C(C)(C)C)cc1
InChIInChI=1S/C24H35N/c1-22(2,3)18-10-14-20(15-11-18)25(24(7,8)9)21-16-12-19(13-17-21)23(4,5)6/h10-17H,1-9H3
InChIKeyOTFKTKFGXAZMIM-UHFFFAOYSA-N
MW337.55 g/mol
LogP7.22
Rot. Bonds2

About N,4-ditert-butyl-N-(4-tert-butylphenyl)aniline

N,4-ditert-butyl-N-(4-tert-butylphenyl)aniline (PubChem CID 90222675) has the molecular formula C24H35N and a molecular weight of 337.55 g/mol. Its IUPAC name is N,4-ditert-butyl-N-(4-tert-butylphenyl)aniline.

Molecular Properties

Compound NameN,4-ditert-butyl-N-(4-tert-butylphenyl)aniline
PubChem CID90222675
Molecular FormulaC24H35N
Molecular Weight337.55 g/mol
Exact Mass337.28
IUPAC NameN,4-ditert-butyl-N-(4-tert-butylphenyl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)C(C)(C)C)cc1
InChIInChI=1S/C24H35N/c1-22(2,3)18-10-14-20(15-11-18)25(24(7,8)9)21-16-12-19(13-17-21)23(4,5)6/h10-17H,1-9H3
InChIKeyOTFKTKFGXAZMIM-UHFFFAOYSA-N
XLogP7.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.55
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,4-ditert-butyl-N-(4-tert-butylphenyl)aniline?
The IUPAC name of N,4-ditert-butyl-N-(4-tert-butylphenyl)aniline (CID 90222675) is N,4-ditert-butyl-N-(4-tert-butylphenyl)aniline.
What is the SMILES notation for N,4-ditert-butyl-N-(4-tert-butylphenyl)aniline?
The canonical SMILES for N,4-ditert-butyl-N-(4-tert-butylphenyl)aniline is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)C(C)(C)C)cc1.
What is the InChIKey of N,4-ditert-butyl-N-(4-tert-butylphenyl)aniline?
The InChIKey is OTFKTKFGXAZMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N/c1-22(2,3)18-10-14-20(15-11-18)25(24(7,8)9)21-16-12-19(13-17-21)23(4,5)6/h10-17H,1-9H3.
What are the key properties of N,4-ditert-butyl-N-(4-tert-butylphenyl)aniline?
N,4-ditert-butyl-N-(4-tert-butylphenyl)aniline has a molecular weight of 337.55 g/mol, XLogP of 7.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-ditert-butyl-N-(4-tert-butylphenyl)aniline is sourced from PubChem (CID 90222675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).