N-[(E)-1-(4-bromo-2-fluorophenyl)propylideneamino]aniline

C15H14BrFN2 — CID 86658768

IUPACN-[(E)-1-(4-bromo-2-fluorophenyl)propylideneamino]aniline
SMILESCC/C(=N\Nc1ccccc1)c1ccc(Br)cc1F
InChIInChI=1S/C15H14BrFN2/c1-2-15(13-9-8-11(16)10-14(13)17)19-18-12-6-4-3-5-7-12/h3-10,18H,2H2,1H3/b19-15+
InChIKeyLQJYYKZCHBJOPO-XDJHFCHBSA-N
MW321.19 g/mol
LogP4.81
Rot. Bonds4

About N-[(E)-1-(4-bromo-2-fluorophenyl)propylideneamino]aniline

N-[(E)-1-(4-bromo-2-fluorophenyl)propylideneamino]aniline (PubChem CID 86658768) has the molecular formula C15H14BrFN2 and a molecular weight of 321.19 g/mol. Its IUPAC name is N-[(E)-1-(4-bromo-2-fluorophenyl)propylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-1-(4-bromo-2-fluorophenyl)propylideneamino]aniline
PubChem CID86658768
Molecular FormulaC15H14BrFN2
Molecular Weight321.19 g/mol
Exact Mass320.03
IUPAC NameN-[(E)-1-(4-bromo-2-fluorophenyl)propylideneamino]aniline
SMILESCC/C(=N\Nc1ccccc1)c1ccc(Br)cc1F
InChIInChI=1S/C15H14BrFN2/c1-2-15(13-9-8-11(16)10-14(13)17)19-18-12-6-4-3-5-7-12/h3-10,18H,2H2,1H3/b19-15+
InChIKeyLQJYYKZCHBJOPO-XDJHFCHBSA-N
XLogP4.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-bromo-2-fluorophenyl)propylideneamino]aniline?
The IUPAC name of N-[(E)-1-(4-bromo-2-fluorophenyl)propylideneamino]aniline (CID 86658768) is N-[(E)-1-(4-bromo-2-fluorophenyl)propylideneamino]aniline.
What is the SMILES notation for N-[(E)-1-(4-bromo-2-fluorophenyl)propylideneamino]aniline?
The canonical SMILES for N-[(E)-1-(4-bromo-2-fluorophenyl)propylideneamino]aniline is CC/C(=N\Nc1ccccc1)c1ccc(Br)cc1F.
What is the InChIKey of N-[(E)-1-(4-bromo-2-fluorophenyl)propylideneamino]aniline?
The InChIKey is LQJYYKZCHBJOPO-XDJHFCHBSA-N. The full InChI is InChI=1S/C15H14BrFN2/c1-2-15(13-9-8-11(16)10-14(13)17)19-18-12-6-4-3-5-7-12/h3-10,18H,2H2,1H3/b19-15+.
What are the key properties of N-[(E)-1-(4-bromo-2-fluorophenyl)propylideneamino]aniline?
N-[(E)-1-(4-bromo-2-fluorophenyl)propylideneamino]aniline has a molecular weight of 321.19 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-bromo-2-fluorophenyl)propylideneamino]aniline is sourced from PubChem (CID 86658768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).