6-fluoro-N-[1-(4-fluorophenyl)pentyl]pyridin-2-amine

C16H18F2N2 — CID 116812935

IUPAC6-fluoro-N-[1-(4-fluorophenyl)pentyl]pyridin-2-amine
SMILESCCCCC(Nc1cccc(F)n1)c1ccc(F)cc1
InChIInChI=1S/C16H18F2N2/c1-2-3-5-14(12-8-10-13(17)11-9-12)19-16-7-4-6-15(18)20-16/h4,6-11,14H,2-3,5H2,1H3,(H,19,20)
InChIKeyOVGAGERHJYHBAC-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.70
Rot. Bonds6

About 6-fluoro-N-[1-(4-fluorophenyl)pentyl]pyridin-2-amine

6-fluoro-N-[1-(4-fluorophenyl)pentyl]pyridin-2-amine (PubChem CID 116812935) has the molecular formula C16H18F2N2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 6-fluoro-N-[1-(4-fluorophenyl)pentyl]pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[1-(4-fluorophenyl)pentyl]pyridin-2-amine
PubChem CID116812935
Molecular FormulaC16H18F2N2
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name6-fluoro-N-[1-(4-fluorophenyl)pentyl]pyridin-2-amine
SMILESCCCCC(Nc1cccc(F)n1)c1ccc(F)cc1
InChIInChI=1S/C16H18F2N2/c1-2-3-5-14(12-8-10-13(17)11-9-12)19-16-7-4-6-15(18)20-16/h4,6-11,14H,2-3,5H2,1H3,(H,19,20)
InChIKeyOVGAGERHJYHBAC-UHFFFAOYSA-N
XLogP4.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
6-fluoro-N-heptan-2-ylpyridin-2-amine
CID 61466659
3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43105701
1-(4-fluorophenyl)pentylhydrazine
CID 53402329
N-[1-(4-fluorophenyl)pentyl]-1,3,4-thiadiazol-2-amine
CID 107648562
4-ethyl-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43097077
6-fluoro-N-(1-phenylpent-4-enyl)pyridin-2-amine
CID 133394883
3,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43099420
1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 43111233
1-(4-fluorophenyl)-N-methoxypentan-1-amine
CID 82706495
N-[1-(3,4-dimethoxyphenyl)propyl]-6-fluoropyridin-2-amine
CID 116812981
N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 103780964

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(4-fluorophenyl)pentyl]pyridin-2-amine?
The IUPAC name of 6-fluoro-N-[1-(4-fluorophenyl)pentyl]pyridin-2-amine (CID 116812935) is 6-fluoro-N-[1-(4-fluorophenyl)pentyl]pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-[1-(4-fluorophenyl)pentyl]pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-[1-(4-fluorophenyl)pentyl]pyridin-2-amine is CCCCC(Nc1cccc(F)n1)c1ccc(F)cc1.
What is the InChIKey of 6-fluoro-N-[1-(4-fluorophenyl)pentyl]pyridin-2-amine?
The InChIKey is OVGAGERHJYHBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2/c1-2-3-5-14(12-8-10-13(17)11-9-12)19-16-7-4-6-15(18)20-16/h4,6-11,14H,2-3,5H2,1H3,(H,19,20).
What are the key properties of 6-fluoro-N-[1-(4-fluorophenyl)pentyl]pyridin-2-amine?
6-fluoro-N-[1-(4-fluorophenyl)pentyl]pyridin-2-amine has a molecular weight of 276.33 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(4-fluorophenyl)pentyl]pyridin-2-amine is sourced from PubChem (CID 116812935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).