N-(4-fluorophenyl)-1,10-phenanthrolin-2-amine

C18H12FN3 — CID 166632899

IUPACN-(4-fluorophenyl)-1,10-phenanthrolin-2-amine
SMILESFc1ccc(Nc2ccc3ccc4cccnc4c3n2)cc1
InChIInChI=1S/C18H12FN3/c19-14-6-8-15(9-7-14)21-16-10-5-13-4-3-12-2-1-11-20-17(12)18(13)22-16/h1-11H,(H,21,22)
InChIKeyOEXBNKYETYNCJI-UHFFFAOYSA-N
MW289.31 g/mol
LogP4.67
Rot. Bonds2

About N-(4-fluorophenyl)-1,10-phenanthrolin-2-amine

N-(4-fluorophenyl)-1,10-phenanthrolin-2-amine (PubChem CID 166632899) has the molecular formula C18H12FN3 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1,10-phenanthrolin-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1,10-phenanthrolin-2-amine
PubChem CID166632899
Molecular FormulaC18H12FN3
Molecular Weight289.31 g/mol
Exact Mass289.10
IUPAC NameN-(4-fluorophenyl)-1,10-phenanthrolin-2-amine
SMILESFc1ccc(Nc2ccc3ccc4cccnc4c3n2)cc1
InChIInChI=1S/C18H12FN3/c19-14-6-8-15(9-7-14)21-16-10-5-13-4-3-12-2-1-11-20-17(12)18(13)22-16/h1-11H,(H,21,22)
InChIKeyOEXBNKYETYNCJI-UHFFFAOYSA-N
XLogP4.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1,10-phenanthrolin-2-amine?
The IUPAC name of N-(4-fluorophenyl)-1,10-phenanthrolin-2-amine (CID 166632899) is N-(4-fluorophenyl)-1,10-phenanthrolin-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-1,10-phenanthrolin-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-1,10-phenanthrolin-2-amine is Fc1ccc(Nc2ccc3ccc4cccnc4c3n2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-1,10-phenanthrolin-2-amine?
The InChIKey is OEXBNKYETYNCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3/c19-14-6-8-15(9-7-14)21-16-10-5-13-4-3-12-2-1-11-20-17(12)18(13)22-16/h1-11H,(H,21,22).
What are the key properties of N-(4-fluorophenyl)-1,10-phenanthrolin-2-amine?
N-(4-fluorophenyl)-1,10-phenanthrolin-2-amine has a molecular weight of 289.31 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1,10-phenanthrolin-2-amine is sourced from PubChem (CID 166632899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).