N-[(2,3-difluoro-5-methoxyphenyl)methyl]-N-methylhydroxylamine

C9H11F2NO2 — CID 84777076

IUPACN-[(2,3-difluoro-5-methoxyphenyl)methyl]-N-methylhydroxylamine
SMILESCOc1cc(F)c(F)c(CN(C)O)c1
InChIInChI=1S/C9H11F2NO2/c1-12(13)5-6-3-7(14-2)4-8(10)9(6)11/h3-4,13H,5H2,1-2H3
InChIKeySBJQDIMPXUIRSY-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.79
Rot. Bonds3

About N-[(2,3-difluoro-5-methoxyphenyl)methyl]-N-methylhydroxylamine

N-[(2,3-difluoro-5-methoxyphenyl)methyl]-N-methylhydroxylamine (PubChem CID 84777076) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is N-[(2,3-difluoro-5-methoxyphenyl)methyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[(2,3-difluoro-5-methoxyphenyl)methyl]-N-methylhydroxylamine
PubChem CID84777076
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC NameN-[(2,3-difluoro-5-methoxyphenyl)methyl]-N-methylhydroxylamine
SMILESCOc1cc(F)c(F)c(CN(C)O)c1
InChIInChI=1S/C9H11F2NO2/c1-12(13)5-6-3-7(14-2)4-8(10)9(6)11/h3-4,13H,5H2,1-2H3
InChIKeySBJQDIMPXUIRSY-UHFFFAOYSA-N
XLogP1.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2,3-difluoro-5-methoxybenzene
CID 149025981
N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine
CID 84775248
1-[2-(2,3-difluoro-5-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 105484561
N-[(4-methoxy-2-methylsulfanylphenyl)methyl]-N-methylhydroxylamine
CID 84782925
N-[(5-bromo-2-fluoro-4-methoxyphenyl)methyl]-N-methylhydroxylamine
CID 84807291
(2,6-difluoro-4-methoxyphenyl)methanol
CID 3736239
1,3-difluoro-2-(1-fluoro-2-methylpropan-2-yl)-5-methoxybenzene
CID 70990663
methyl 2-[(2,3-difluorophenyl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate
CID 47548923
N-(2-fluoro-4-methoxyphenyl)-N-methylhydroxylamine
CID 123875503
2-(3-fluoro-5-methoxy-2-methylphenyl)ethanamine
CID 130066698
(2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187510
2-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]acetic acid
CID 102877379

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluoro-5-methoxyphenyl)methyl]-N-methylhydroxylamine?
The IUPAC name of N-[(2,3-difluoro-5-methoxyphenyl)methyl]-N-methylhydroxylamine (CID 84777076) is N-[(2,3-difluoro-5-methoxyphenyl)methyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[(2,3-difluoro-5-methoxyphenyl)methyl]-N-methylhydroxylamine?
The canonical SMILES for N-[(2,3-difluoro-5-methoxyphenyl)methyl]-N-methylhydroxylamine is COc1cc(F)c(F)c(CN(C)O)c1.
What is the InChIKey of N-[(2,3-difluoro-5-methoxyphenyl)methyl]-N-methylhydroxylamine?
The InChIKey is SBJQDIMPXUIRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-12(13)5-6-3-7(14-2)4-8(10)9(6)11/h3-4,13H,5H2,1-2H3.
What are the key properties of N-[(2,3-difluoro-5-methoxyphenyl)methyl]-N-methylhydroxylamine?
N-[(2,3-difluoro-5-methoxyphenyl)methyl]-N-methylhydroxylamine has a molecular weight of 203.19 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluoro-5-methoxyphenyl)methyl]-N-methylhydroxylamine is sourced from PubChem (CID 84777076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).