4-N-[1-(2-fluorophenyl)ethyl]quinoline-4,8-diamine

C17H16FN3 — CID 83065720

IUPAC4-N-[1-(2-fluorophenyl)ethyl]quinoline-4,8-diamine
SMILESCC(Nc1ccnc2c(N)cccc12)c1ccccc1F
InChIInChI=1S/C17H16FN3/c1-11(12-5-2-3-7-14(12)18)21-16-9-10-20-17-13(16)6-4-8-15(17)19/h2-11H,19H2,1H3,(H,20,21)
InChIKeyBUNHMECZRPGELF-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.13
Rot. Bonds3

About 4-N-[1-(2-fluorophenyl)ethyl]quinoline-4,8-diamine

4-N-[1-(2-fluorophenyl)ethyl]quinoline-4,8-diamine (PubChem CID 83065720) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-N-[1-(2-fluorophenyl)ethyl]quinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-[1-(2-fluorophenyl)ethyl]quinoline-4,8-diamine
PubChem CID83065720
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name4-N-[1-(2-fluorophenyl)ethyl]quinoline-4,8-diamine
SMILESCC(Nc1ccnc2c(N)cccc12)c1ccccc1F
InChIInChI=1S/C17H16FN3/c1-11(12-5-2-3-7-14(12)18)21-16-9-10-20-17-13(16)6-4-8-15(17)19/h2-11H,19H2,1H3,(H,20,21)
InChIKeyBUNHMECZRPGELF-UHFFFAOYSA-N
XLogP4.13
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine
CID 54964707
4-N-(1-phenylpropan-2-yl)quinoline-4,8-diamine
CID 83066033
4-N-[1-(5-chlorothiophen-2-yl)ethyl]quinoline-4,8-diamine
CID 83060731
4-N-heptan-2-ylquinoline-4,8-diamine
CID 83060293
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801582
4-N-[1-(dimethylamino)-4-methylpentan-2-yl]quinoline-4,8-diamine
CID 83065833
3-N-[1-(2-fluorophenyl)ethyl]-2-nitrobenzene-1,3-diamine
CID 80802207
4-N-(2,3,3-trimethylbutyl)quinoline-4,8-diamine
CID 83143113
4-N-[1-(oxolan-2-yl)ethyl]quinoline-4,8-diamine
CID 83060583
4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-4,8-diamine
CID 83061047
4-N-(4-fluoro-3-methylphenyl)quinoline-4,8-diamine
CID 83060895

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2-fluorophenyl)ethyl]quinoline-4,8-diamine?
The IUPAC name of 4-N-[1-(2-fluorophenyl)ethyl]quinoline-4,8-diamine (CID 83065720) is 4-N-[1-(2-fluorophenyl)ethyl]quinoline-4,8-diamine.
What is the SMILES notation for 4-N-[1-(2-fluorophenyl)ethyl]quinoline-4,8-diamine?
The canonical SMILES for 4-N-[1-(2-fluorophenyl)ethyl]quinoline-4,8-diamine is CC(Nc1ccnc2c(N)cccc12)c1ccccc1F.
What is the InChIKey of 4-N-[1-(2-fluorophenyl)ethyl]quinoline-4,8-diamine?
The InChIKey is BUNHMECZRPGELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-11(12-5-2-3-7-14(12)18)21-16-9-10-20-17-13(16)6-4-8-15(17)19/h2-11H,19H2,1H3,(H,20,21).
What are the key properties of 4-N-[1-(2-fluorophenyl)ethyl]quinoline-4,8-diamine?
4-N-[1-(2-fluorophenyl)ethyl]quinoline-4,8-diamine has a molecular weight of 281.33 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2-fluorophenyl)ethyl]quinoline-4,8-diamine is sourced from PubChem (CID 83065720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).