N-benzyl-1-(4-bromo-2-fluoro-6-methylphenyl)methanimine

C15H13BrFN — CID 101453925

IUPACN-benzyl-1-(4-bromo-2-fluoro-6-methylphenyl)methanimine
SMILESCc1cc(Br)cc(F)c1/C=N/Cc1ccccc1
InChIInChI=1S/C15H13BrFN/c1-11-7-13(16)8-15(17)14(11)10-18-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3/b18-10+
InChIKeyCPYIGCYZGPFZHB-VCHYOVAHSA-N
MW306.18 g/mol
LogP4.52
Rot. Bonds3

About N-benzyl-1-(4-bromo-2-fluoro-6-methylphenyl)methanimine

N-benzyl-1-(4-bromo-2-fluoro-6-methylphenyl)methanimine (PubChem CID 101453925) has the molecular formula C15H13BrFN and a molecular weight of 306.18 g/mol. Its IUPAC name is N-benzyl-1-(4-bromo-2-fluoro-6-methylphenyl)methanimine.

Molecular Properties

Compound NameN-benzyl-1-(4-bromo-2-fluoro-6-methylphenyl)methanimine
PubChem CID101453925
Molecular FormulaC15H13BrFN
Molecular Weight306.18 g/mol
Exact Mass305.02
IUPAC NameN-benzyl-1-(4-bromo-2-fluoro-6-methylphenyl)methanimine
SMILESCc1cc(Br)cc(F)c1/C=N/Cc1ccccc1
InChIInChI=1S/C15H13BrFN/c1-11-7-13(16)8-15(17)14(11)10-18-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3/b18-10+
InChIKeyCPYIGCYZGPFZHB-VCHYOVAHSA-N
XLogP4.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 54.52
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

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-[(4-bromophenyl)methyl]-1-(2,4-difluoro-6-methylphenyl)methanimine
CID 24754440
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-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
N-benzyl-1-(4-bromophenyl)ethanimine
CID 12306329

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-bromo-2-fluoro-6-methylphenyl)methanimine?
The IUPAC name of N-benzyl-1-(4-bromo-2-fluoro-6-methylphenyl)methanimine (CID 101453925) is N-benzyl-1-(4-bromo-2-fluoro-6-methylphenyl)methanimine.
What is the SMILES notation for N-benzyl-1-(4-bromo-2-fluoro-6-methylphenyl)methanimine?
The canonical SMILES for N-benzyl-1-(4-bromo-2-fluoro-6-methylphenyl)methanimine is Cc1cc(Br)cc(F)c1/C=N/Cc1ccccc1.
What is the InChIKey of N-benzyl-1-(4-bromo-2-fluoro-6-methylphenyl)methanimine?
The InChIKey is CPYIGCYZGPFZHB-VCHYOVAHSA-N. The full InChI is InChI=1S/C15H13BrFN/c1-11-7-13(16)8-15(17)14(11)10-18-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3/b18-10+.
What are the key properties of N-benzyl-1-(4-bromo-2-fluoro-6-methylphenyl)methanimine?
N-benzyl-1-(4-bromo-2-fluoro-6-methylphenyl)methanimine has a molecular weight of 306.18 g/mol, XLogP of 4.52, 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-fluoro-6-methylphenyl)methanimine is sourced from PubChem (CID 101453925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).