N-benzyl-1-(4-bromo-2,6-difluorophenyl)methanimine

C14H10BrF2N — CID 101453918

IUPACN-benzyl-1-(4-bromo-2,6-difluorophenyl)methanimine
SMILESFc1cc(Br)cc(F)c1/C=N/Cc1ccccc1
InChIInChI=1S/C14H10BrF2N/c15-11-6-13(16)12(14(17)7-11)9-18-8-10-4-2-1-3-5-10/h1-7,9H,8H2/b18-9+
InChIKeyRMTMIIQLFGQVAO-GIJQJNRQSA-N
MW310.14 g/mol
LogP4.35
Rot. Bonds3

About N-benzyl-1-(4-bromo-2,6-difluorophenyl)methanimine

N-benzyl-1-(4-bromo-2,6-difluorophenyl)methanimine (PubChem CID 101453918) has the molecular formula C14H10BrF2N and a molecular weight of 310.14 g/mol. Its IUPAC name is N-benzyl-1-(4-bromo-2,6-difluorophenyl)methanimine.

Molecular Properties

Compound NameN-benzyl-1-(4-bromo-2,6-difluorophenyl)methanimine
PubChem CID101453918
Molecular FormulaC14H10BrF2N
Molecular Weight310.14 g/mol
Exact Mass309.00
IUPAC NameN-benzyl-1-(4-bromo-2,6-difluorophenyl)methanimine
SMILESFc1cc(Br)cc(F)c1/C=N/Cc1ccccc1
InChIInChI=1S/C14H10BrF2N/c15-11-6-13(16)12(14(17)7-11)9-18-8-10-4-2-1-3-5-10/h1-7,9H,8H2/b18-9+
InChIKeyRMTMIIQLFGQVAO-GIJQJNRQSA-N
XLogP4.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-Bromobenzylidene)aniline
CID 525674
N-(2-fluorobenzylidene)(phenyl)methanamine
CID 44221747
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanimine
CID 16752924
2-Fluoro-N-((2-fluorophenyl)methylene)benzenemethanamine
CID 67464029
p-Bromobenzylidene-benzyl-amine
CID 525665
N-[(4-Bromophenyl)methylene]-4-fluorobenzenamine
CID 904271
Benzenemethanamine, N-[(pentafluorophenyl)methylene]-
CID 3442452
Benzenemethanamine, N-[(4-fluorophenyl)methylene]-
CID 10910873
N-[(4-fluorophenyl)methyl]-1-phenylmethanimine
CID 21679638
N-benzyl-1-(3-bromophenyl)methanimine
CID 2796512
p-Bromobenzylidene-cyclohexyl-amine
CID 525667
4-Bromo-N-[(4-bromophenyl)methylene]benzenemethanamine
CID 85840300

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-bromo-2,6-difluorophenyl)methanimine?
The IUPAC name of N-benzyl-1-(4-bromo-2,6-difluorophenyl)methanimine (CID 101453918) is N-benzyl-1-(4-bromo-2,6-difluorophenyl)methanimine.
What is the SMILES notation for N-benzyl-1-(4-bromo-2,6-difluorophenyl)methanimine?
The canonical SMILES for N-benzyl-1-(4-bromo-2,6-difluorophenyl)methanimine is Fc1cc(Br)cc(F)c1/C=N/Cc1ccccc1.
What is the InChIKey of N-benzyl-1-(4-bromo-2,6-difluorophenyl)methanimine?
The InChIKey is RMTMIIQLFGQVAO-GIJQJNRQSA-N. The full InChI is InChI=1S/C14H10BrF2N/c15-11-6-13(16)12(14(17)7-11)9-18-8-10-4-2-1-3-5-10/h1-7,9H,8H2/b18-9+.
What are the key properties of N-benzyl-1-(4-bromo-2,6-difluorophenyl)methanimine?
N-benzyl-1-(4-bromo-2,6-difluorophenyl)methanimine has a molecular weight of 310.14 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-bromo-2,6-difluorophenyl)methanimine is sourced from PubChem (CID 101453918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).