N-[[2,6-dimethoxy-4-(trifluoromethyl)phenyl]methyl]-N-methylhydroxylamine

C11H14F3NO3 — CID 84807567

IUPACN-[[2,6-dimethoxy-4-(trifluoromethyl)phenyl]methyl]-N-methylhydroxylamine
SMILESCOc1cc(C(F)(F)F)cc(OC)c1CN(C)O
InChIInChI=1S/C11H14F3NO3/c1-15(16)6-8-9(17-2)4-7(11(12,13)14)5-10(8)18-3/h4-5,16H,6H2,1-3H3
InChIKeyIBSVSKMCXXGKBM-UHFFFAOYSA-N
MW265.23 g/mol
LogP2.54
Rot. Bonds4

About N-[[2,6-dimethoxy-4-(trifluoromethyl)phenyl]methyl]-N-methylhydroxylamine

N-[[2,6-dimethoxy-4-(trifluoromethyl)phenyl]methyl]-N-methylhydroxylamine (PubChem CID 84807567) has the molecular formula C11H14F3NO3 and a molecular weight of 265.23 g/mol. Its IUPAC name is N-[[2,6-dimethoxy-4-(trifluoromethyl)phenyl]methyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[[2,6-dimethoxy-4-(trifluoromethyl)phenyl]methyl]-N-methylhydroxylamine
PubChem CID84807567
Molecular FormulaC11H14F3NO3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC NameN-[[2,6-dimethoxy-4-(trifluoromethyl)phenyl]methyl]-N-methylhydroxylamine
SMILESCOc1cc(C(F)(F)F)cc(OC)c1CN(C)O
InChIInChI=1S/C11H14F3NO3/c1-15(16)6-8-9(17-2)4-7(11(12,13)14)5-10(8)18-3/h4-5,16H,6H2,1-3H3
InChIKeyIBSVSKMCXXGKBM-UHFFFAOYSA-N
XLogP2.54
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-hydroxy-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-one
CID 84803557
2-[2-fluoro-6-methoxy-4-(trifluoromethyl)phenyl]ethanamine
CID 135380865
2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]acetic acid
CID 117424974
1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone
CID 84803559
1-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]-N-methoxymethanamine
CID 117499022
2-(chloromethyl)-3-methoxy-5-(trifluoromethyl)benzonitrile
CID 171024120
O-[2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 117427096
1-methoxy-2-methyl-3,5-bis(trifluoromethyl)benzene
CID 74891112
2-methoxy-6-methyl-4-(trifluoromethyl)aniline
CID 131484039
2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
CID 84776098
3-fluoro-2-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
CID 84776097
1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]butan-2-amine;hydrochloride
CID 170889521

Frequently Asked Questions

What is the IUPAC name of N-[[2,6-dimethoxy-4-(trifluoromethyl)phenyl]methyl]-N-methylhydroxylamine?
The IUPAC name of N-[[2,6-dimethoxy-4-(trifluoromethyl)phenyl]methyl]-N-methylhydroxylamine (CID 84807567) is N-[[2,6-dimethoxy-4-(trifluoromethyl)phenyl]methyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[[2,6-dimethoxy-4-(trifluoromethyl)phenyl]methyl]-N-methylhydroxylamine?
The canonical SMILES for N-[[2,6-dimethoxy-4-(trifluoromethyl)phenyl]methyl]-N-methylhydroxylamine is COc1cc(C(F)(F)F)cc(OC)c1CN(C)O.
What is the InChIKey of N-[[2,6-dimethoxy-4-(trifluoromethyl)phenyl]methyl]-N-methylhydroxylamine?
The InChIKey is IBSVSKMCXXGKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3/c1-15(16)6-8-9(17-2)4-7(11(12,13)14)5-10(8)18-3/h4-5,16H,6H2,1-3H3.
What are the key properties of N-[[2,6-dimethoxy-4-(trifluoromethyl)phenyl]methyl]-N-methylhydroxylamine?
N-[[2,6-dimethoxy-4-(trifluoromethyl)phenyl]methyl]-N-methylhydroxylamine has a molecular weight of 265.23 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,6-dimethoxy-4-(trifluoromethyl)phenyl]methyl]-N-methylhydroxylamine is sourced from PubChem (CID 84807567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).