4-tert-butyl-N,N-diphenylaniline

C22H23N — CID 11312667

IUPAC4-tert-butyl-N,N-diphenylaniline
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23N/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17H,1-3H3
InChIKeyQAOWDDALFFRROB-UHFFFAOYSA-N
MW301.43 g/mol
LogP6.45
Rot. Bonds3

About 4-tert-butyl-N,N-diphenylaniline

4-tert-butyl-N,N-diphenylaniline (PubChem CID 11312667) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-tert-butyl-N,N-diphenylaniline.

Molecular Properties

Compound Name4-tert-butyl-N,N-diphenylaniline
PubChem CID11312667
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name4-tert-butyl-N,N-diphenylaniline
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23N/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17H,1-3H3
InChIKeyQAOWDDALFFRROB-UHFFFAOYSA-N
XLogP6.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-diphenylaniline?
The IUPAC name of 4-tert-butyl-N,N-diphenylaniline (CID 11312667) is 4-tert-butyl-N,N-diphenylaniline.
What is the SMILES notation for 4-tert-butyl-N,N-diphenylaniline?
The canonical SMILES for 4-tert-butyl-N,N-diphenylaniline is CC(C)(C)c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-tert-butyl-N,N-diphenylaniline?
The InChIKey is QAOWDDALFFRROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-17H,1-3H3.
What are the key properties of 4-tert-butyl-N,N-diphenylaniline?
4-tert-butyl-N,N-diphenylaniline has a molecular weight of 301.43 g/mol, XLogP of 6.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-diphenylaniline is sourced from PubChem (CID 11312667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).