3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline

C17H18F3N — CID 43105701

IUPAC3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline
SMILESCCCCC(Nc1cc(F)cc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C17H18F3N/c1-2-3-4-17(12-5-7-13(18)8-6-12)21-16-10-14(19)9-15(20)11-16/h5-11,17,21H,2-4H2,1H3
InChIKeyNJDPQLVMSZPHKC-UHFFFAOYSA-N
MW293.33 g/mol
LogP5.45
Rot. Bonds6

About 3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline

3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline (PubChem CID 43105701) has the molecular formula C17H18F3N and a molecular weight of 293.33 g/mol. Its IUPAC name is 3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline.

Molecular Properties

Compound Name3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline
PubChem CID43105701
Molecular FormulaC17H18F3N
Molecular Weight293.33 g/mol
Exact Mass293.14
IUPAC Name3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline
SMILESCCCCC(Nc1cc(F)cc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C17H18F3N/c1-2-3-4-17(12-5-7-13(18)8-6-12)21-16-10-14(19)9-15(20)11-16/h5-11,17,21H,2-4H2,1H3
InChIKeyNJDPQLVMSZPHKC-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.33
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
3,5-difluoro-N-(1-phenylhexyl)aniline
CID 43765021
4-ethyl-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43097077
3,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43099420
3,5-difluoro-N-(1-phenylbutyl)aniline
CID 43095450
1-(4-fluorophenyl)pentylhydrazine
CID 53402329
1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 43111233
5-bromo-2-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43555238
1-(4-fluorophenyl)-N-methoxypentan-1-amine
CID 82706495
N-[1-(4-fluorophenyl)pentyl]-1,3,4-thiadiazol-2-amine
CID 107648562
N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 103780964
6-fluoro-N-[1-(4-fluorophenyl)pentyl]pyridin-2-amine
CID 116812935

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline?
The IUPAC name of 3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline (CID 43105701) is 3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline.
What is the SMILES notation for 3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline?
The canonical SMILES for 3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline is CCCCC(Nc1cc(F)cc(F)c1)c1ccc(F)cc1.
What is the InChIKey of 3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline?
The InChIKey is NJDPQLVMSZPHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N/c1-2-3-4-17(12-5-7-13(18)8-6-12)21-16-10-14(19)9-15(20)11-16/h5-11,17,21H,2-4H2,1H3.
What are the key properties of 3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline?
3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline has a molecular weight of 293.33 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline is sourced from PubChem (CID 43105701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).