3-butyl-N-(3-butylphenyl)-N-phenylaniline

C26H31N — CID 90178850

IUPAC3-butyl-N-(3-butylphenyl)-N-phenylaniline
SMILESCCCCc1cccc(N(c2ccccc2)c2cccc(CCCC)c2)c1
InChIInChI=1S/C26H31N/c1-3-5-12-22-14-10-18-25(20-22)27(24-16-8-7-9-17-24)26-19-11-15-23(21-26)13-6-4-2/h7-11,14-21H,3-6,12-13H2,1-2H3
InChIKeyPAIVEHLXHNKGEM-UHFFFAOYSA-N
MW357.54 g/mol
LogP7.84
Rot. Bonds9

About 3-butyl-N-(3-butylphenyl)-N-phenylaniline

3-butyl-N-(3-butylphenyl)-N-phenylaniline (PubChem CID 90178850) has the molecular formula C26H31N and a molecular weight of 357.54 g/mol. Its IUPAC name is 3-butyl-N-(3-butylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name3-butyl-N-(3-butylphenyl)-N-phenylaniline
PubChem CID90178850
Molecular FormulaC26H31N
Molecular Weight357.54 g/mol
Exact Mass357.25
IUPAC Name3-butyl-N-(3-butylphenyl)-N-phenylaniline
SMILESCCCCc1cccc(N(c2ccccc2)c2cccc(CCCC)c2)c1
InChIInChI=1S/C26H31N/c1-3-5-12-22-14-10-18-25(20-22)27(24-16-8-7-9-17-24)26-19-11-15-23(21-26)13-6-4-2/h7-11,14-21H,3-6,12-13H2,1-2H3
InChIKeyPAIVEHLXHNKGEM-UHFFFAOYSA-N
XLogP7.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[3,5-bis[4-(3-butyl-N-(3-butylphenyl)anilino)phenyl]phenyl]phenyl]-3-butyl-N-(3-butylphenyl)aniline
CID 18346375
1-N,4-N-bis(3,5-dibutylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 19842982
N-phenyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-3-undecylaniline
CID 130356199
N-[4-[3-[4-(3-butyl-N-(3-butylphenyl)anilino)phenyl]-5-[4-(N-(3-butylphenyl)-3-methylanilino)phenyl]phenyl]phenyl]-N-(3-butylphenyl)-3-methylaniline
CID 20688277
N-(4-butylphenyl)-3-ethyl-N-(4-fluorophenyl)aniline
CID 101074585
3-butylaniline;N-[4-(4-methylphenyl)phenyl]-N,4-diphenylaniline
CID 143269144
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-octadecyl-N,N-diphenylaniline
CID 162035815
4-hexyl-N,N-diphenylaniline
CID 20525221
4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 163976726
N,N-diphenyl-4-[2-[3-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]ethyl]aniline
CID 14646517
4-butyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-butylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 22900144

Frequently Asked Questions

What is the IUPAC name of 3-butyl-N-(3-butylphenyl)-N-phenylaniline?
The IUPAC name of 3-butyl-N-(3-butylphenyl)-N-phenylaniline (CID 90178850) is 3-butyl-N-(3-butylphenyl)-N-phenylaniline.
What is the SMILES notation for 3-butyl-N-(3-butylphenyl)-N-phenylaniline?
The canonical SMILES for 3-butyl-N-(3-butylphenyl)-N-phenylaniline is CCCCc1cccc(N(c2ccccc2)c2cccc(CCCC)c2)c1.
What is the InChIKey of 3-butyl-N-(3-butylphenyl)-N-phenylaniline?
The InChIKey is PAIVEHLXHNKGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N/c1-3-5-12-22-14-10-18-25(20-22)27(24-16-8-7-9-17-24)26-19-11-15-23(21-26)13-6-4-2/h7-11,14-21H,3-6,12-13H2,1-2H3.
What are the key properties of 3-butyl-N-(3-butylphenyl)-N-phenylaniline?
3-butyl-N-(3-butylphenyl)-N-phenylaniline has a molecular weight of 357.54 g/mol, XLogP of 7.84, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-N-(3-butylphenyl)-N-phenylaniline is sourced from PubChem (CID 90178850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).