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

C20H27N — CID 70153981

IUPAC4-butyl-N-(4-tert-butylphenyl)aniline
SMILESCCCCc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H27N/c1-5-6-7-16-8-12-18(13-9-16)21-19-14-10-17(11-15-19)20(2,3)4/h8-15,21H,5-7H2,1-4H3
InChIKeyQRNGTRWUUBHFEB-UHFFFAOYSA-N
MW281.44 g/mol
LogP6.07
Rot. Bonds5

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

4-butyl-N-(4-tert-butylphenyl)aniline (PubChem CID 70153981) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-butyl-N-(4-tert-butylphenyl)aniline.

Molecular Properties

Compound Name4-butyl-N-(4-tert-butylphenyl)aniline
PubChem CID70153981
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name4-butyl-N-(4-tert-butylphenyl)aniline
SMILESCCCCc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H27N/c1-5-6-7-16-8-12-18(13-9-16)21-19-14-10-17(11-15-19)20(2,3)4/h8-15,21H,5-7H2,1-4H3
InChIKeyQRNGTRWUUBHFEB-UHFFFAOYSA-N
XLogP6.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655
1-tert-butyl-4-undecylbenzene
CID 162402478
1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane
CID 164906830
4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]-N-[4-[2-[4-[[[4-[2-[4-[[(4-tert-butylphenyl)methylamino]methyl]phenyl]ethyl]phenyl]methylamino]methyl]phenyl]ethyl]phenyl]aniline
CID 101478316
4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline
CID 70991869
4-(4-butylphenyl)-N-phenylaniline
CID 141426915
4-hexyl-N-[4-[4-(4-hexylanilino)phenyl]phenyl]aniline
CID 102049508
4-methyl-N-(4-nonylphenyl)aniline
CID 71021938
4-methyl-N-(4-octylphenyl)aniline
CID 20625735
3-(4-tert-butylphenyl)-N-propylpropan-1-amine
CID 62528827
3,5-didecyl-N-(4-decylphenyl)aniline
CID 102438287
4-(4-hexylanilino)phenol
CID 101298409

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(4-tert-butylphenyl)aniline?
The IUPAC name of 4-butyl-N-(4-tert-butylphenyl)aniline (CID 70153981) is 4-butyl-N-(4-tert-butylphenyl)aniline.
What is the SMILES notation for 4-butyl-N-(4-tert-butylphenyl)aniline?
The canonical SMILES for 4-butyl-N-(4-tert-butylphenyl)aniline is CCCCc1ccc(Nc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-butyl-N-(4-tert-butylphenyl)aniline?
The InChIKey is QRNGTRWUUBHFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-5-6-7-16-8-12-18(13-9-16)21-19-14-10-17(11-15-19)20(2,3)4/h8-15,21H,5-7H2,1-4H3.
What are the key properties of 4-butyl-N-(4-tert-butylphenyl)aniline?
4-butyl-N-(4-tert-butylphenyl)aniline has a molecular weight of 281.44 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(4-tert-butylphenyl)aniline is sourced from PubChem (CID 70153981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).