N'-(3-bromo-5-fluoro-2-methylphenyl)-N-ethyl-N-methylmethanimidamide

C11H14BrFN2 — CID 154648040

IUPACN'-(3-bromo-5-fluoro-2-methylphenyl)-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)cc(Br)c1C
InChIInChI=1S/C11H14BrFN2/c1-4-15(3)7-14-11-6-9(13)5-10(12)8(11)2/h5-7H,4H2,1-3H3/b14-7+
InChIKeyNLSRLKRGWMNDSL-VGOFMYFVSA-N
MW273.15 g/mol
LogP3.51
Rot. Bonds3

About N'-(3-bromo-5-fluoro-2-methylphenyl)-N-ethyl-N-methylmethanimidamide

N'-(3-bromo-5-fluoro-2-methylphenyl)-N-ethyl-N-methylmethanimidamide (PubChem CID 154648040) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is N'-(3-bromo-5-fluoro-2-methylphenyl)-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-(3-bromo-5-fluoro-2-methylphenyl)-N-ethyl-N-methylmethanimidamide
PubChem CID154648040
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC NameN'-(3-bromo-5-fluoro-2-methylphenyl)-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)cc(Br)c1C
InChIInChI=1S/C11H14BrFN2/c1-4-15(3)7-14-11-6-9(13)5-10(12)8(11)2/h5-7H,4H2,1-3H3/b14-7+
InChIKeyNLSRLKRGWMNDSL-VGOFMYFVSA-N
XLogP3.51
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-5-fluoro-2-methylphenyl)-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-(3-bromo-5-fluoro-2-methylphenyl)-N-ethyl-N-methylmethanimidamide (CID 154648040) is N'-(3-bromo-5-fluoro-2-methylphenyl)-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-(3-bromo-5-fluoro-2-methylphenyl)-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-(3-bromo-5-fluoro-2-methylphenyl)-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(F)cc(Br)c1C.
What is the InChIKey of N'-(3-bromo-5-fluoro-2-methylphenyl)-N-ethyl-N-methylmethanimidamide?
The InChIKey is NLSRLKRGWMNDSL-VGOFMYFVSA-N. The full InChI is InChI=1S/C11H14BrFN2/c1-4-15(3)7-14-11-6-9(13)5-10(12)8(11)2/h5-7H,4H2,1-3H3/b14-7+.
What are the key properties of N'-(3-bromo-5-fluoro-2-methylphenyl)-N-ethyl-N-methylmethanimidamide?
N'-(3-bromo-5-fluoro-2-methylphenyl)-N-ethyl-N-methylmethanimidamide has a molecular weight of 273.15 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-5-fluoro-2-methylphenyl)-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 154648040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).