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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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).