N-[(2-bromo-6-methoxy-3-methylphenyl)methyl]-N-methylhydroxylamine

C10H14BrNO2 — CID 84806414

IUPACN-[(2-bromo-6-methoxy-3-methylphenyl)methyl]-N-methylhydroxylamine
SMILESCOc1ccc(C)c(Br)c1CN(C)O
InChIInChI=1S/C10H14BrNO2/c1-7-4-5-9(14-3)8(10(7)11)6-12(2)13/h4-5,13H,6H2,1-3H3
InChIKeyKHBFKDFQXBEKFG-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.59
Rot. Bonds3

About N-[(2-bromo-6-methoxy-3-methylphenyl)methyl]-N-methylhydroxylamine

N-[(2-bromo-6-methoxy-3-methylphenyl)methyl]-N-methylhydroxylamine (PubChem CID 84806414) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is N-[(2-bromo-6-methoxy-3-methylphenyl)methyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[(2-bromo-6-methoxy-3-methylphenyl)methyl]-N-methylhydroxylamine
PubChem CID84806414
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC NameN-[(2-bromo-6-methoxy-3-methylphenyl)methyl]-N-methylhydroxylamine
SMILESCOc1ccc(C)c(Br)c1CN(C)O
InChIInChI=1S/C10H14BrNO2/c1-7-4-5-9(14-3)8(10(7)11)6-12(2)13/h4-5,13H,6H2,1-3H3
InChIKeyKHBFKDFQXBEKFG-UHFFFAOYSA-N
XLogP2.59
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.59
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

N-[(2-bromo-6-fluoro-3-methoxyphenyl)methyl]-N-methylhydroxylamine
CID 84807297
N-[(3-bromo-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine
CID 84806406
3-(2-bromo-6-methoxy-3-methylphenyl)-2-methylpropanoic acid
CID 84813954
2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
CID 84776098
2-bromo-6-methoxy-3-methylaniline
CID 84784559
N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine
CID 84775248
3-fluoro-2-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
CID 84776097
ethyl 2-(2-bromo-3-methoxy-6-methylphenyl)acetate
CID 171001723
(2,3-dibromo-6-methoxyphenyl)methanol
CID 171002454
2-bromo-6-[[hydroxy(methyl)amino]methyl]-3-methoxy-4-methylphenol
CID 84810900
2-bromo-3-ethyl-1,4-dimethoxybenzene
CID 84704847
N-[[2,6-dimethoxy-4-(trifluoromethyl)phenyl]methyl]-N-methylhydroxylamine
CID 84807567

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-6-methoxy-3-methylphenyl)methyl]-N-methylhydroxylamine?
The IUPAC name of N-[(2-bromo-6-methoxy-3-methylphenyl)methyl]-N-methylhydroxylamine (CID 84806414) is N-[(2-bromo-6-methoxy-3-methylphenyl)methyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[(2-bromo-6-methoxy-3-methylphenyl)methyl]-N-methylhydroxylamine?
The canonical SMILES for N-[(2-bromo-6-methoxy-3-methylphenyl)methyl]-N-methylhydroxylamine is COc1ccc(C)c(Br)c1CN(C)O.
What is the InChIKey of N-[(2-bromo-6-methoxy-3-methylphenyl)methyl]-N-methylhydroxylamine?
The InChIKey is KHBFKDFQXBEKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-7-4-5-9(14-3)8(10(7)11)6-12(2)13/h4-5,13H,6H2,1-3H3.
What are the key properties of N-[(2-bromo-6-methoxy-3-methylphenyl)methyl]-N-methylhydroxylamine?
N-[(2-bromo-6-methoxy-3-methylphenyl)methyl]-N-methylhydroxylamine has a molecular weight of 260.13 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-6-methoxy-3-methylphenyl)methyl]-N-methylhydroxylamine is sourced from PubChem (CID 84806414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).