2-N-(3-fluorophenyl)quinoline-2,6-diamine

C15H12FN3 — CID 43450955

IUPAC2-N-(3-fluorophenyl)quinoline-2,6-diamine
SMILESNc1ccc2nc(Nc3cccc(F)c3)ccc2c1
InChIInChI=1S/C15H12FN3/c16-11-2-1-3-13(9-11)18-15-7-4-10-8-12(17)5-6-14(10)19-15/h1-9H,17H2,(H,18,19)
InChIKeyTYFJSSVNSZEOFX-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.70
Rot. Bonds2

About 2-N-(3-fluorophenyl)quinoline-2,6-diamine

2-N-(3-fluorophenyl)quinoline-2,6-diamine (PubChem CID 43450955) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-N-(3-fluorophenyl)quinoline-2,6-diamine.

Molecular Properties

Compound Name2-N-(3-fluorophenyl)quinoline-2,6-diamine
PubChem CID43450955
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name2-N-(3-fluorophenyl)quinoline-2,6-diamine
SMILESNc1ccc2nc(Nc3cccc(F)c3)ccc2c1
InChIInChI=1S/C15H12FN3/c16-11-2-1-3-13(9-11)18-15-7-4-10-8-12(17)5-6-14(10)19-15/h1-9H,17H2,(H,18,19)
InChIKeyTYFJSSVNSZEOFX-UHFFFAOYSA-N
XLogP3.70
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.70
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

2-N-(3-bromophenyl)quinoline-2,6-diamine
CID 43450961
3-N-quinolin-2-ylbenzene-1,3-diamine
CID 24695043
2-[(6-aminoquinolin-2-yl)amino]-5-fluorobenzonitrile
CID 82012937
2-N-(4-bromo-3,5-dimethylphenyl)quinoline-2,6-diamine
CID 107571429
2-[(6-aminoquinolin-2-yl)amino]-6-fluorobenzonitrile
CID 43580481
2-N-(2,3-dichlorophenyl)quinoline-2,6-diamine
CID 43450981
2-N-(2-fluoro-4-methylphenyl)quinoline-2,6-diamine
CID 43450982
N-(3-fluorophenyl)-6-methylpyridin-2-amine
CID 119089651
2-N-[(4-fluorophenyl)methyl]quinoline-2,6-diamine
CID 43450871
2-N-(2-bromo-3-chlorophenyl)quinoline-2,6-diamine
CID 103477533
4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80760392
N-(3,4-difluorophenyl)quinolin-2-amine
CID 82536877

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluorophenyl)quinoline-2,6-diamine?
The IUPAC name of 2-N-(3-fluorophenyl)quinoline-2,6-diamine (CID 43450955) is 2-N-(3-fluorophenyl)quinoline-2,6-diamine.
What is the SMILES notation for 2-N-(3-fluorophenyl)quinoline-2,6-diamine?
The canonical SMILES for 2-N-(3-fluorophenyl)quinoline-2,6-diamine is Nc1ccc2nc(Nc3cccc(F)c3)ccc2c1.
What is the InChIKey of 2-N-(3-fluorophenyl)quinoline-2,6-diamine?
The InChIKey is TYFJSSVNSZEOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c16-11-2-1-3-13(9-11)18-15-7-4-10-8-12(17)5-6-14(10)19-15/h1-9H,17H2,(H,18,19).
What are the key properties of 2-N-(3-fluorophenyl)quinoline-2,6-diamine?
2-N-(3-fluorophenyl)quinoline-2,6-diamine has a molecular weight of 253.28 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluorophenyl)quinoline-2,6-diamine is sourced from PubChem (CID 43450955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).