N-(4-butylphenyl)-3-ethyl-N-(4-fluorophenyl)aniline

C24H26FN — CID 101074585

IUPACN-(4-butylphenyl)-3-ethyl-N-(4-fluorophenyl)aniline
SMILESCCCCc1ccc(N(c2ccc(F)cc2)c2cccc(CC)c2)cc1
InChIInChI=1S/C24H26FN/c1-3-5-7-20-10-14-22(15-11-20)26(23-16-12-21(25)13-17-23)24-9-6-8-19(4-2)18-24/h6,8-18H,3-5,7H2,1-2H3
InChIKeyHPQNDXFZMSXXFD-UHFFFAOYSA-N
MW347.48 g/mol
LogP7.20
Rot. Bonds7

About N-(4-butylphenyl)-3-ethyl-N-(4-fluorophenyl)aniline

N-(4-butylphenyl)-3-ethyl-N-(4-fluorophenyl)aniline (PubChem CID 101074585) has the molecular formula C24H26FN and a molecular weight of 347.48 g/mol. Its IUPAC name is N-(4-butylphenyl)-3-ethyl-N-(4-fluorophenyl)aniline.

Molecular Properties

Compound NameN-(4-butylphenyl)-3-ethyl-N-(4-fluorophenyl)aniline
PubChem CID101074585
Molecular FormulaC24H26FN
Molecular Weight347.48 g/mol
Exact Mass347.20
IUPAC NameN-(4-butylphenyl)-3-ethyl-N-(4-fluorophenyl)aniline
SMILESCCCCc1ccc(N(c2ccc(F)cc2)c2cccc(CC)c2)cc1
InChIInChI=1S/C24H26FN/c1-3-5-7-20-10-14-22(15-11-20)26(23-16-12-21(25)13-17-23)24-9-6-8-19(4-2)18-24/h6,8-18H,3-5,7H2,1-2H3
InChIKeyHPQNDXFZMSXXFD-UHFFFAOYSA-N
XLogP7.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.48
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-butyl-N-(3-butylphenyl)-N-phenylaniline
CID 90178850
N-[4-[3,5-bis[4-(3-butyl-N-(3-butylphenyl)anilino)phenyl]phenyl]phenyl]-3-butyl-N-(3-butylphenyl)aniline
CID 18346375
4-ethyl-N-(4-fluorophenyl)-N-phenylaniline
CID 154721984
3-ethyl-N-(3-ethylphenyl)-N-(4-methylphenyl)aniline
CID 139519281
N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline
CID 134423688
1-N,4-N-bis(3,5-dibutylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 19842982
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
5-butyl-8,10-difluorocyclodeca-1,3,5,7,9-pentaen-1-ol
CID 142878399
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-octadecyl-N,N-diphenylaniline
CID 162035815
4-hexyl-N,N-diphenylaniline
CID 20525221
4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;3-butyl-N-[4-[4-(N-(3-butylphenyl)-4-methylanilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 123445678

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-3-ethyl-N-(4-fluorophenyl)aniline?
The IUPAC name of N-(4-butylphenyl)-3-ethyl-N-(4-fluorophenyl)aniline (CID 101074585) is N-(4-butylphenyl)-3-ethyl-N-(4-fluorophenyl)aniline.
What is the SMILES notation for N-(4-butylphenyl)-3-ethyl-N-(4-fluorophenyl)aniline?
The canonical SMILES for N-(4-butylphenyl)-3-ethyl-N-(4-fluorophenyl)aniline is CCCCc1ccc(N(c2ccc(F)cc2)c2cccc(CC)c2)cc1.
What is the InChIKey of N-(4-butylphenyl)-3-ethyl-N-(4-fluorophenyl)aniline?
The InChIKey is HPQNDXFZMSXXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN/c1-3-5-7-20-10-14-22(15-11-20)26(23-16-12-21(25)13-17-23)24-9-6-8-19(4-2)18-24/h6,8-18H,3-5,7H2,1-2H3.
What are the key properties of N-(4-butylphenyl)-3-ethyl-N-(4-fluorophenyl)aniline?
N-(4-butylphenyl)-3-ethyl-N-(4-fluorophenyl)aniline has a molecular weight of 347.48 g/mol, XLogP of 7.20, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-3-ethyl-N-(4-fluorophenyl)aniline is sourced from PubChem (CID 101074585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).