1-(5-bromo-3-fluoro-2-methylphenyl)-N-ethylmethanimine

C10H11BrFN — CID 126565616

IUPAC1-(5-bromo-3-fluoro-2-methylphenyl)-N-ethylmethanimine
SMILESCC/N=C/c1cc(Br)cc(F)c1C
InChIInChI=1S/C10H11BrFN/c1-3-13-6-8-4-9(11)5-10(12)7(8)2/h4-6H,3H2,1-2H3/b13-6+
InChIKeyHKMGMMLWEPWJRR-AWNIVKPZSA-N
MW244.11 g/mol
LogP3.34
Rot. Bonds2

About 1-(5-bromo-3-fluoro-2-methylphenyl)-N-ethylmethanimine

1-(5-bromo-3-fluoro-2-methylphenyl)-N-ethylmethanimine (PubChem CID 126565616) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 1-(5-bromo-3-fluoro-2-methylphenyl)-N-ethylmethanimine.

Molecular Properties

Compound Name1-(5-bromo-3-fluoro-2-methylphenyl)-N-ethylmethanimine
PubChem CID126565616
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name1-(5-bromo-3-fluoro-2-methylphenyl)-N-ethylmethanimine
SMILESCC/N=C/c1cc(Br)cc(F)c1C
InChIInChI=1S/C10H11BrFN/c1-3-13-6-8-4-9(11)5-10(12)7(8)2/h4-6H,3H2,1-2H3/b13-6+
InChIKeyHKMGMMLWEPWJRR-AWNIVKPZSA-N
XLogP3.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-fluoro-2-methylphenyl)-N-ethylmethanimine?
The IUPAC name of 1-(5-bromo-3-fluoro-2-methylphenyl)-N-ethylmethanimine (CID 126565616) is 1-(5-bromo-3-fluoro-2-methylphenyl)-N-ethylmethanimine.
What is the SMILES notation for 1-(5-bromo-3-fluoro-2-methylphenyl)-N-ethylmethanimine?
The canonical SMILES for 1-(5-bromo-3-fluoro-2-methylphenyl)-N-ethylmethanimine is CC/N=C/c1cc(Br)cc(F)c1C.
What is the InChIKey of 1-(5-bromo-3-fluoro-2-methylphenyl)-N-ethylmethanimine?
The InChIKey is HKMGMMLWEPWJRR-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H11BrFN/c1-3-13-6-8-4-9(11)5-10(12)7(8)2/h4-6H,3H2,1-2H3/b13-6+.
What are the key properties of 1-(5-bromo-3-fluoro-2-methylphenyl)-N-ethylmethanimine?
1-(5-bromo-3-fluoro-2-methylphenyl)-N-ethylmethanimine has a molecular weight of 244.11 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-fluoro-2-methylphenyl)-N-ethylmethanimine is sourced from PubChem (CID 126565616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).