N-[(E)-1-(4-bromo-2,6-difluorophenyl)ethylideneamino]-4-methylaniline

C15H13BrF2N2 — CID 169277635

IUPACN-[(E)-1-(4-bromo-2,6-difluorophenyl)ethylideneamino]-4-methylaniline
SMILESC/C(=N\Nc1ccc(C)cc1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C15H13BrF2N2/c1-9-3-5-12(6-4-9)20-19-10(2)15-13(17)7-11(16)8-14(15)18/h3-8,20H,1-2H3/b19-10+
InChIKeyUWQCDCXZYUDJIE-VXLYETTFSA-N
MW339.18 g/mol
LogP4.87
Rot. Bonds3

About N-[(E)-1-(4-bromo-2,6-difluorophenyl)ethylideneamino]-4-methylaniline

N-[(E)-1-(4-bromo-2,6-difluorophenyl)ethylideneamino]-4-methylaniline (PubChem CID 169277635) has the molecular formula C15H13BrF2N2 and a molecular weight of 339.18 g/mol. Its IUPAC name is N-[(E)-1-(4-bromo-2,6-difluorophenyl)ethylideneamino]-4-methylaniline.

Molecular Properties

Compound NameN-[(E)-1-(4-bromo-2,6-difluorophenyl)ethylideneamino]-4-methylaniline
PubChem CID169277635
Molecular FormulaC15H13BrF2N2
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC NameN-[(E)-1-(4-bromo-2,6-difluorophenyl)ethylideneamino]-4-methylaniline
SMILESC/C(=N\Nc1ccc(C)cc1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C15H13BrF2N2/c1-9-3-5-12(6-4-9)20-19-10(2)15-13(17)7-11(16)8-14(15)18/h3-8,20H,1-2H3/b19-10+
InChIKeyUWQCDCXZYUDJIE-VXLYETTFSA-N
XLogP4.87
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 54.87
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-2,6-difluorophenyl)ethylideneamino]-4-methylaniline?
The IUPAC name of N-[(E)-1-(4-bromo-2,6-difluorophenyl)ethylideneamino]-4-methylaniline (CID 169277635) is N-[(E)-1-(4-bromo-2,6-difluorophenyl)ethylideneamino]-4-methylaniline.
What is the SMILES notation for N-[(E)-1-(4-bromo-2,6-difluorophenyl)ethylideneamino]-4-methylaniline?
The canonical SMILES for N-[(E)-1-(4-bromo-2,6-difluorophenyl)ethylideneamino]-4-methylaniline is C/C(=N\Nc1ccc(C)cc1)c1c(F)cc(Br)cc1F.
What is the InChIKey of N-[(E)-1-(4-bromo-2,6-difluorophenyl)ethylideneamino]-4-methylaniline?
The InChIKey is UWQCDCXZYUDJIE-VXLYETTFSA-N. The full InChI is InChI=1S/C15H13BrF2N2/c1-9-3-5-12(6-4-9)20-19-10(2)15-13(17)7-11(16)8-14(15)18/h3-8,20H,1-2H3/b19-10+.
What are the key properties of N-[(E)-1-(4-bromo-2,6-difluorophenyl)ethylideneamino]-4-methylaniline?
N-[(E)-1-(4-bromo-2,6-difluorophenyl)ethylideneamino]-4-methylaniline has a molecular weight of 339.18 g/mol, XLogP of 4.87, 3 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-2,6-difluorophenyl)ethylideneamino]-4-methylaniline is sourced from PubChem (CID 169277635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).