N,2-bis(4-tert-butylphenyl)aniline

C26H31N — CID 176593215

IUPACN,2-bis(4-tert-butylphenyl)aniline
SMILESCC(C)(C)c1ccc(Nc2ccccc2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C26H31N/c1-25(2,3)20-13-11-19(12-14-20)23-9-7-8-10-24(23)27-22-17-15-21(16-18-22)26(4,5)6/h7-18,27H,1-6H3
InChIKeyYJKFJAPMFYIYNQ-UHFFFAOYSA-N
MW357.54 g/mol
LogP7.69
Rot. Bonds3

About N,2-bis(4-tert-butylphenyl)aniline

N,2-bis(4-tert-butylphenyl)aniline (PubChem CID 176593215) has the molecular formula C26H31N and a molecular weight of 357.54 g/mol. Its IUPAC name is N,2-bis(4-tert-butylphenyl)aniline.

Molecular Properties

Compound NameN,2-bis(4-tert-butylphenyl)aniline
PubChem CID176593215
Molecular FormulaC26H31N
Molecular Weight357.54 g/mol
Exact Mass357.25
IUPAC NameN,2-bis(4-tert-butylphenyl)aniline
SMILESCC(C)(C)c1ccc(Nc2ccccc2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C26H31N/c1-25(2,3)20-13-11-19(12-14-20)23-9-7-8-10-24(23)27-22-17-15-21(16-18-22)26(4,5)6/h7-18,27H,1-6H3
InChIKeyYJKFJAPMFYIYNQ-UHFFFAOYSA-N
XLogP7.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-tert-butylphenyl)-2-phenylaniline
CID 139372366
2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342
5-N-[2-(4-tert-butylphenyl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3,5-triamine
CID 164833179
2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
CID 118616888
2-(4-bromophenyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 169108707
1-[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]ethanol
CID 169108594
N-(4-tert-butylphenyl)-2-phenyl-4-(2-phenylpropan-2-yl)aniline
CID 162507884
benzene;N,2-diphenylaniline
CID 175029921
1-N-phenyl-2-N-(2-phenylphenyl)benzene-1,2-diamine
CID 118429255
[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]cyanamide
CID 175923781
4-N-[2-[4-(phenanthren-9-ylamino)phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 130250792
2-methyl-N-[4-(2-methylphenyl)phenyl]aniline
CID 144650096

Frequently Asked Questions

What is the IUPAC name of N,2-bis(4-tert-butylphenyl)aniline?
The IUPAC name of N,2-bis(4-tert-butylphenyl)aniline (CID 176593215) is N,2-bis(4-tert-butylphenyl)aniline.
What is the SMILES notation for N,2-bis(4-tert-butylphenyl)aniline?
The canonical SMILES for N,2-bis(4-tert-butylphenyl)aniline is CC(C)(C)c1ccc(Nc2ccccc2-c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N,2-bis(4-tert-butylphenyl)aniline?
The InChIKey is YJKFJAPMFYIYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N/c1-25(2,3)20-13-11-19(12-14-20)23-9-7-8-10-24(23)27-22-17-15-21(16-18-22)26(4,5)6/h7-18,27H,1-6H3.
What are the key properties of N,2-bis(4-tert-butylphenyl)aniline?
N,2-bis(4-tert-butylphenyl)aniline has a molecular weight of 357.54 g/mol, XLogP of 7.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(4-tert-butylphenyl)aniline is sourced from PubChem (CID 176593215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).