2-(4-tert-butylphenyl)-6-(3,5-ditert-butylphenyl)aniline

C30H39N — CID 177078236

IUPAC2-(4-tert-butylphenyl)-6-(3,5-ditert-butylphenyl)aniline
SMILESCC(C)(C)c1ccc(-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2N)cc1
InChIInChI=1S/C30H39N/c1-28(2,3)22-15-13-20(14-16-22)25-11-10-12-26(27(25)31)21-17-23(29(4,5)6)19-24(18-21)30(7,8)9/h10-19H,31H2,1-9H3
InChIKeyFJAAHTBQNIAWGM-UHFFFAOYSA-N
MW413.65 g/mol
LogP8.50
Rot. Bonds2

About 2-(4-tert-butylphenyl)-6-(3,5-ditert-butylphenyl)aniline

2-(4-tert-butylphenyl)-6-(3,5-ditert-butylphenyl)aniline (PubChem CID 177078236) has the molecular formula C30H39N and a molecular weight of 413.65 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-6-(3,5-ditert-butylphenyl)aniline.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-6-(3,5-ditert-butylphenyl)aniline
PubChem CID177078236
Molecular FormulaC30H39N
Molecular Weight413.65 g/mol
Exact Mass413.31
IUPAC Name2-(4-tert-butylphenyl)-6-(3,5-ditert-butylphenyl)aniline
SMILESCC(C)(C)c1ccc(-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2N)cc1
InChIInChI=1S/C30H39N/c1-28(2,3)22-15-13-20(14-16-22)25-11-10-12-26(27(25)31)21-17-23(29(4,5)6)19-24(18-21)30(7,8)9/h10-19H,31H2,1-9H3
InChIKeyFJAAHTBQNIAWGM-UHFFFAOYSA-N
XLogP8.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.65
LogP ≤ 58.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]-6-phenylaniline
CID 171730460
2-(4-tert-butylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 170288786
1-tert-butyl-3-(4-tert-butylphenyl)benzene
CID 12682933
2-[4-(2-amino-5-tert-butylphenyl)phenyl]-4-tert-butylaniline
CID 52936811
1-[2,5-bis(3,5-ditert-butylphenyl)phenyl]-2,5-bis[2,6-bis(3,5-ditert-butylphenyl)phenyl]-4-[3,5-bis(3,5-ditert-butylphenyl)phenyl]benzene
CID 176589286
1,4-bis(4-tert-butylphenyl)naphthalene
CID 123481845
1-tert-butyl-4-(2-iodophenyl)benzene
CID 22914033
2-(4-tert-butylphenyl)benzenethiol
CID 22566543
[2-(4-tert-butylphenyl)phenyl]phosphane
CID 58067255
2-N,3-N-bis[2,6-bis(4-tert-butylphenyl)phenyl]butane-2,3-diimine
CID 11170198
1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene
CID 140865937
2,3-bis(4-tert-butylphenyl)anthracene-9,10-dione
CID 135067467

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-6-(3,5-ditert-butylphenyl)aniline?
The IUPAC name of 2-(4-tert-butylphenyl)-6-(3,5-ditert-butylphenyl)aniline (CID 177078236) is 2-(4-tert-butylphenyl)-6-(3,5-ditert-butylphenyl)aniline.
What is the SMILES notation for 2-(4-tert-butylphenyl)-6-(3,5-ditert-butylphenyl)aniline?
The canonical SMILES for 2-(4-tert-butylphenyl)-6-(3,5-ditert-butylphenyl)aniline is CC(C)(C)c1ccc(-c2cccc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c2N)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-6-(3,5-ditert-butylphenyl)aniline?
The InChIKey is FJAAHTBQNIAWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N/c1-28(2,3)22-15-13-20(14-16-22)25-11-10-12-26(27(25)31)21-17-23(29(4,5)6)19-24(18-21)30(7,8)9/h10-19H,31H2,1-9H3.
What are the key properties of 2-(4-tert-butylphenyl)-6-(3,5-ditert-butylphenyl)aniline?
2-(4-tert-butylphenyl)-6-(3,5-ditert-butylphenyl)aniline has a molecular weight of 413.65 g/mol, XLogP of 8.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-6-(3,5-ditert-butylphenyl)aniline is sourced from PubChem (CID 177078236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).