N-[(3-bromo-5-fluoro-2,4-dimethylphenyl)methyl]-N-methylhydroxylamine

C10H13BrFNO — CID 84806966

IUPACN-[(3-bromo-5-fluoro-2,4-dimethylphenyl)methyl]-N-methylhydroxylamine
SMILESCc1c(F)cc(CN(C)O)c(C)c1Br
InChIInChI=1S/C10H13BrFNO/c1-6-8(5-13(3)14)4-9(12)7(2)10(6)11/h4,14H,5H2,1-3H3
InChIKeyIMXLGBCKHXGNGB-UHFFFAOYSA-N
MW262.12 g/mol
LogP3.03
Rot. Bonds2

About N-[(3-bromo-5-fluoro-2,4-dimethylphenyl)methyl]-N-methylhydroxylamine

N-[(3-bromo-5-fluoro-2,4-dimethylphenyl)methyl]-N-methylhydroxylamine (PubChem CID 84806966) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is N-[(3-bromo-5-fluoro-2,4-dimethylphenyl)methyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[(3-bromo-5-fluoro-2,4-dimethylphenyl)methyl]-N-methylhydroxylamine
PubChem CID84806966
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC NameN-[(3-bromo-5-fluoro-2,4-dimethylphenyl)methyl]-N-methylhydroxylamine
SMILESCc1c(F)cc(CN(C)O)c(C)c1Br
InChIInChI=1S/C10H13BrFNO/c1-6-8(5-13(3)14)4-9(12)7(2)10(6)11/h4,14H,5H2,1-3H3
InChIKeyIMXLGBCKHXGNGB-UHFFFAOYSA-N
XLogP3.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluoro-2,4-dimethylphenyl)methyl]-N-methylhydroxylamine?
The IUPAC name of N-[(3-bromo-5-fluoro-2,4-dimethylphenyl)methyl]-N-methylhydroxylamine (CID 84806966) is N-[(3-bromo-5-fluoro-2,4-dimethylphenyl)methyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[(3-bromo-5-fluoro-2,4-dimethylphenyl)methyl]-N-methylhydroxylamine?
The canonical SMILES for N-[(3-bromo-5-fluoro-2,4-dimethylphenyl)methyl]-N-methylhydroxylamine is Cc1c(F)cc(CN(C)O)c(C)c1Br.
What is the InChIKey of N-[(3-bromo-5-fluoro-2,4-dimethylphenyl)methyl]-N-methylhydroxylamine?
The InChIKey is IMXLGBCKHXGNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-6-8(5-13(3)14)4-9(12)7(2)10(6)11/h4,14H,5H2,1-3H3.
What are the key properties of N-[(3-bromo-5-fluoro-2,4-dimethylphenyl)methyl]-N-methylhydroxylamine?
N-[(3-bromo-5-fluoro-2,4-dimethylphenyl)methyl]-N-methylhydroxylamine has a molecular weight of 262.12 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluoro-2,4-dimethylphenyl)methyl]-N-methylhydroxylamine is sourced from PubChem (CID 84806966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).