4-(4-butylphenyl)-N-phenylaniline

C22H23N — CID 141426915

IUPAC4-(4-butylphenyl)-N-phenylaniline
SMILESCCCCc1ccc(-c2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C22H23N/c1-2-3-7-18-10-12-19(13-11-18)20-14-16-22(17-15-20)23-21-8-5-4-6-9-21/h4-6,8-17,23H,2-3,7H2,1H3
InChIKeyPDUVTRIVEXSPFM-UHFFFAOYSA-N
MW301.43 g/mol
LogP6.44
Rot. Bonds6

About 4-(4-butylphenyl)-N-phenylaniline

4-(4-butylphenyl)-N-phenylaniline (PubChem CID 141426915) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-(4-butylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name4-(4-butylphenyl)-N-phenylaniline
PubChem CID141426915
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name4-(4-butylphenyl)-N-phenylaniline
SMILESCCCCc1ccc(-c2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C22H23N/c1-2-3-7-18-10-12-19(13-11-18)20-14-16-22(17-15-20)23-21-8-5-4-6-9-21/h4-6,8-17,23H,2-3,7H2,1H3
InChIKeyPDUVTRIVEXSPFM-UHFFFAOYSA-N
XLogP6.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 56.44
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
4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline
CID 70991869
4-hexyl-N-[4-[4-(4-hexylanilino)phenyl]phenyl]aniline
CID 102049508
1-butyl-4-phenylbenzene;ethane
CID 143743409
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
1-pentadecyl-4-phenylbenzene
CID 57166115
1-(4-anilinophenyl)undecan-4-ol
CID 101298282
10-(4-anilinophenyl)decan-5-ol
CID 101298269
1-(4-anilinophenyl)octadecan-8-ol
CID 101298383
1-(4-anilinophenyl)pentadecan-8-ol
CID 101298332
17-(4-anilinophenyl)heptadecan-5-ol
CID 101298360
1-(4-anilinophenyl)tridecan-5-ol
CID 101298306

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylphenyl)-N-phenylaniline?
The IUPAC name of 4-(4-butylphenyl)-N-phenylaniline (CID 141426915) is 4-(4-butylphenyl)-N-phenylaniline.
What is the SMILES notation for 4-(4-butylphenyl)-N-phenylaniline?
The canonical SMILES for 4-(4-butylphenyl)-N-phenylaniline is CCCCc1ccc(-c2ccc(Nc3ccccc3)cc2)cc1.
What is the InChIKey of 4-(4-butylphenyl)-N-phenylaniline?
The InChIKey is PDUVTRIVEXSPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-2-3-7-18-10-12-19(13-11-18)20-14-16-22(17-15-20)23-21-8-5-4-6-9-21/h4-6,8-17,23H,2-3,7H2,1H3.
What are the key properties of 4-(4-butylphenyl)-N-phenylaniline?
4-(4-butylphenyl)-N-phenylaniline has a molecular weight of 301.43 g/mol, XLogP of 6.44, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylphenyl)-N-phenylaniline is sourced from PubChem (CID 141426915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).