3,4-ditert-butyl-N-(3-tert-butylphenyl)aniline

C24H35N — CID 177290254

IUPAC3,4-ditert-butyl-N-(3-tert-butylphenyl)aniline
SMILESCC(C)(C)c1cccc(Nc2ccc(C(C)(C)C)c(C(C)(C)C)c2)c1
InChIInChI=1S/C24H35N/c1-22(2,3)17-11-10-12-18(15-17)25-19-13-14-20(23(4,5)6)21(16-19)24(7,8)9/h10-16,25H,1-9H3
InChIKeyYMQSVWBYRJUXFE-UHFFFAOYSA-N
MW337.55 g/mol
LogP7.32
Rot. Bonds2

About 3,4-ditert-butyl-N-(3-tert-butylphenyl)aniline

3,4-ditert-butyl-N-(3-tert-butylphenyl)aniline (PubChem CID 177290254) has the molecular formula C24H35N and a molecular weight of 337.55 g/mol. Its IUPAC name is 3,4-ditert-butyl-N-(3-tert-butylphenyl)aniline.

Molecular Properties

Compound Name3,4-ditert-butyl-N-(3-tert-butylphenyl)aniline
PubChem CID177290254
Molecular FormulaC24H35N
Molecular Weight337.55 g/mol
Exact Mass337.28
IUPAC Name3,4-ditert-butyl-N-(3-tert-butylphenyl)aniline
SMILESCC(C)(C)c1cccc(Nc2ccc(C(C)(C)C)c(C(C)(C)C)c2)c1
InChIInChI=1S/C24H35N/c1-22(2,3)17-11-10-12-18(15-17)25-19-13-14-20(23(4,5)6)21(16-19)24(7,8)9/h10-16,25H,1-9H3
InChIKeyYMQSVWBYRJUXFE-UHFFFAOYSA-N
XLogP7.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.55
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-N-(3-tert-butylphenyl)aniline?
The IUPAC name of 3,4-ditert-butyl-N-(3-tert-butylphenyl)aniline (CID 177290254) is 3,4-ditert-butyl-N-(3-tert-butylphenyl)aniline.
What is the SMILES notation for 3,4-ditert-butyl-N-(3-tert-butylphenyl)aniline?
The canonical SMILES for 3,4-ditert-butyl-N-(3-tert-butylphenyl)aniline is CC(C)(C)c1cccc(Nc2ccc(C(C)(C)C)c(C(C)(C)C)c2)c1.
What is the InChIKey of 3,4-ditert-butyl-N-(3-tert-butylphenyl)aniline?
The InChIKey is YMQSVWBYRJUXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N/c1-22(2,3)17-11-10-12-18(15-17)25-19-13-14-20(23(4,5)6)21(16-19)24(7,8)9/h10-16,25H,1-9H3.
What are the key properties of 3,4-ditert-butyl-N-(3-tert-butylphenyl)aniline?
3,4-ditert-butyl-N-(3-tert-butylphenyl)aniline has a molecular weight of 337.55 g/mol, XLogP of 7.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-N-(3-tert-butylphenyl)aniline is sourced from PubChem (CID 177290254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).