N-[(4-bromophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine

C15H12BrF2N — CID 24754440

IUPACN-[(4-bromophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine
SMILESCc1cc(F)cc(F)c1/C=N/Cc1ccc(Br)cc1
InChIInChI=1S/C15H12BrF2N/c1-10-6-13(17)7-15(18)14(10)9-19-8-11-2-4-12(16)5-3-11/h2-7,9H,8H2,1H3/b19-9+
InChIKeyUHMGSMLJCLHSPZ-DJKKODMXSA-N
MW324.17 g/mol
LogP4.65
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine

N-[(4-bromophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine (PubChem CID 24754440) has the molecular formula C15H12BrF2N and a molecular weight of 324.17 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine
PubChem CID24754440
Molecular FormulaC15H12BrF2N
Molecular Weight324.17 g/mol
Exact Mass323.01
IUPAC NameN-[(4-bromophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine
SMILESCc1cc(F)cc(F)c1/C=N/Cc1ccc(Br)cc1
InChIInChI=1S/C15H12BrF2N/c1-10-6-13(17)7-15(18)14(10)9-19-8-11-2-4-12(16)5-3-11/h2-7,9H,8H2,1H3/b19-9+
InChIKeyUHMGSMLJCLHSPZ-DJKKODMXSA-N
XLogP4.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(4-bromophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-Bromo-3,4-dihydroisoquinoline
CID 12000034
p-Bromobenzylidene-benzyl-amine
CID 525665
N-benzyl-1-(3-bromophenyl)methanimine
CID 2796512
4-Bromo-N-[(4-bromophenyl)methylene]benzenemethanamine
CID 85840300
N-[(4-bromophenyl)methyl]-1-(2,4,6-trifluorophenyl)methanimine
CID 24754439
N-benzyl-1-(4-bromo-2,6-difluorophenyl)methanimine
CID 101453918
N-benzyl-1-(2,4-difluoro-6-methylphenyl)methanimine
CID 101453923
N-benzyl-1-(2,3,4,5-tetrafluoro-6-methylphenyl)methanimine
CID 101453924
N-benzyl-1-(4-bromo-2-fluoro-6-methylphenyl)methanimine
CID 101453925
N-benzyl-1-(2-fluoro-6-methylphenyl)methanimine
CID 101453926
N-benzyl-1-(3,6-difluoro-2-methylphenyl)methanimine
CID 101453928
N-benzyl-1-(2,3,5-trifluoro-6-methylphenyl)methanimine
CID 101453929

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine (CID 24754440) is N-[(4-bromophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine is Cc1cc(F)cc(F)c1/C=N/Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine?
The InChIKey is UHMGSMLJCLHSPZ-DJKKODMXSA-N. The full InChI is InChI=1S/C15H12BrF2N/c1-10-6-13(17)7-15(18)14(10)9-19-8-11-2-4-12(16)5-3-11/h2-7,9H,8H2,1H3/b19-9+.
What are the key properties of N-[(4-bromophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine?
N-[(4-bromophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine has a molecular weight of 324.17 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine is sourced from PubChem (CID 24754440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).