4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline

C17H19F2N — CID 43107477

IUPAC4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
SMILESCCCCC(Nc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H19F2N/c1-2-3-4-17(13-5-7-14(18)8-6-13)20-16-11-9-15(19)10-12-16/h5-12,17,20H,2-4H2,1H3
InChIKeyDZCVFXHPYZMOHQ-UHFFFAOYSA-N
MW275.34 g/mol
LogP5.31
Rot. Bonds6

About 4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline

4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline (PubChem CID 43107477) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
PubChem CID43107477
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
SMILESCCCCC(Nc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H19F2N/c1-2-3-4-17(13-5-7-14(18)8-6-13)20-16-11-9-15(19)10-12-16/h5-12,17,20H,2-4H2,1H3
InChIKeyDZCVFXHPYZMOHQ-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.34
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43097077
3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43105701
3,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43099420
1-(4-fluorophenyl)pentylhydrazine
CID 53402329
1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 43111233
1-(4-fluorophenyl)-N-methoxypentan-1-amine
CID 82706495
N-[1-(4-fluorophenyl)pentyl]-1,3,4-thiadiazol-2-amine
CID 107648562
N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 103780964
6-fluoro-N-[1-(4-fluorophenyl)pentyl]pyridin-2-amine
CID 116812935
4-bromo-N-(1-phenylpentyl)aniline
CID 43762744
5-bromo-2-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43555238

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline?
The IUPAC name of 4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline (CID 43107477) is 4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline.
What is the SMILES notation for 4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline?
The canonical SMILES for 4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline is CCCCC(Nc1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline?
The InChIKey is DZCVFXHPYZMOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-2-3-4-17(13-5-7-14(18)8-6-13)20-16-11-9-15(19)10-12-16/h5-12,17,20H,2-4H2,1H3.
What are the key properties of 4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline?
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline has a molecular weight of 275.34 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline is sourced from PubChem (CID 43107477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).