2,4-dibutyl-N-(2,4-dibutylphenyl)aniline

C28H43N — CID 139628924

IUPAC2,4-dibutyl-N-(2,4-dibutylphenyl)aniline
SMILESCCCCc1ccc(Nc2ccc(CCCC)cc2CCCC)c(CCCC)c1
InChIInChI=1S/C28H43N/c1-5-9-13-23-17-19-27(25(21-23)15-11-7-3)29-28-20-18-24(14-10-6-2)22-26(28)16-12-8-4/h17-22,29H,5-16H2,1-4H3
InChIKeyRWAAKLDYAHOWEL-UHFFFAOYSA-N
MW393.66 g/mol
LogP8.80
Rot. Bonds14

About 2,4-dibutyl-N-(2,4-dibutylphenyl)aniline

2,4-dibutyl-N-(2,4-dibutylphenyl)aniline (PubChem CID 139628924) has the molecular formula C28H43N and a molecular weight of 393.66 g/mol. Its IUPAC name is 2,4-dibutyl-N-(2,4-dibutylphenyl)aniline.

Molecular Properties

Compound Name2,4-dibutyl-N-(2,4-dibutylphenyl)aniline
PubChem CID139628924
Molecular FormulaC28H43N
Molecular Weight393.66 g/mol
Exact Mass393.34
IUPAC Name2,4-dibutyl-N-(2,4-dibutylphenyl)aniline
SMILESCCCCc1ccc(Nc2ccc(CCCC)cc2CCCC)c(CCCC)c1
InChIInChI=1S/C28H43N/c1-5-9-13-23-17-19-27(25(21-23)15-11-7-3)29-28-20-18-24(14-10-6-2)22-26(28)16-12-8-4/h17-22,29H,5-16H2,1-4H3
InChIKeyRWAAKLDYAHOWEL-UHFFFAOYSA-N
XLogP8.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.66
LogP ≤ 58.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-4-[4-(3-butyl-4-methylphenyl)butyl]-1-methylbenzene
CID 123599336
2,4-dibutyl-1-chlorobenzene
CID 18417644
N-methyl-2,4-dipropylaniline
CID 23348993
4-[4-butyl-3-(4-sulfanylbutyl)phenyl]butane-1-thiol
CID 88742598
tris(2,4-dibutylphenyl) phosphite
CID 10974297
1,4-dibutyl-2-ethenylbenzene
CID 140596757
2-[2-(4-butylanilino)phenyl]acetic acid
CID 18546340
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655
2,4-dibutyl-1-nitrobenzene
CID 11207075
4-nonyl-2-pentylphenol
CID 86162849
(2,4-dibutylphenyl) dihydrogen phosphite
CID 67509897
4-[[4-[16-[4-[(4-aminophenyl)methyl]-3-butylphenyl]hexadecyl]-2-butylphenyl]methyl]aniline
CID 22920577

Frequently Asked Questions

What is the IUPAC name of 2,4-dibutyl-N-(2,4-dibutylphenyl)aniline?
The IUPAC name of 2,4-dibutyl-N-(2,4-dibutylphenyl)aniline (CID 139628924) is 2,4-dibutyl-N-(2,4-dibutylphenyl)aniline.
What is the SMILES notation for 2,4-dibutyl-N-(2,4-dibutylphenyl)aniline?
The canonical SMILES for 2,4-dibutyl-N-(2,4-dibutylphenyl)aniline is CCCCc1ccc(Nc2ccc(CCCC)cc2CCCC)c(CCCC)c1.
What is the InChIKey of 2,4-dibutyl-N-(2,4-dibutylphenyl)aniline?
The InChIKey is RWAAKLDYAHOWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N/c1-5-9-13-23-17-19-27(25(21-23)15-11-7-3)29-28-20-18-24(14-10-6-2)22-26(28)16-12-8-4/h17-22,29H,5-16H2,1-4H3.
What are the key properties of 2,4-dibutyl-N-(2,4-dibutylphenyl)aniline?
2,4-dibutyl-N-(2,4-dibutylphenyl)aniline has a molecular weight of 393.66 g/mol, XLogP of 8.80, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibutyl-N-(2,4-dibutylphenyl)aniline is sourced from PubChem (CID 139628924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).