N-[(3-bromo-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine

C10H14BrNO2 — CID 84806406

IUPACN-[(3-bromo-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine
SMILESCOc1ccc(CN(C)O)c(C)c1Br
InChIInChI=1S/C10H14BrNO2/c1-7-8(6-12(2)13)4-5-9(14-3)10(7)11/h4-5,13H,6H2,1-3H3
InChIKeyKAPUOGLNXMDWFV-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.59
Rot. Bonds3

About N-[(3-bromo-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine

N-[(3-bromo-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine (PubChem CID 84806406) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine
PubChem CID84806406
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC NameN-[(3-bromo-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine
SMILESCOc1ccc(CN(C)O)c(C)c1Br
InChIInChI=1S/C10H14BrNO2/c1-7-8(6-12(2)13)4-5-9(14-3)10(7)11/h4-5,13H,6H2,1-3H3
InChIKeyKAPUOGLNXMDWFV-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

ethyl 2-(3-bromo-4-methoxy-2-methylphenyl)acetate
CID 171001780
N-[(2-bromo-6-methoxy-3-methylphenyl)methyl]-N-methylhydroxylamine
CID 84806414
N-[(2-bromo-6-fluoro-3-methoxyphenyl)methyl]-N-methylhydroxylamine
CID 84807297
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylacetamide
CID 115191161
4-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]butan-2-one
CID 115235817
N-[(5-bromo-2-fluoro-4-methoxyphenyl)methyl]-N-methylhydroxylamine
CID 84807291
(4-methoxy-2,3-dimethylphenyl)methyl-methylcyanamide
CID 117043360
1-(4-bromo-2-methoxyphenyl)-N,N-dimethylmethanamine
CID 117219351
2-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84812952
3-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84812866
2-bromo-6-[[hydroxy(methyl)amino]methyl]-3-methoxy-4-methylphenol
CID 84810900
1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine
CID 13212596

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine?
The IUPAC name of N-[(3-bromo-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine (CID 84806406) is N-[(3-bromo-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[(3-bromo-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine?
The canonical SMILES for N-[(3-bromo-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine is COc1ccc(CN(C)O)c(C)c1Br.
What is the InChIKey of N-[(3-bromo-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine?
The InChIKey is KAPUOGLNXMDWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-7-8(6-12(2)13)4-5-9(14-3)10(7)11/h4-5,13H,6H2,1-3H3.
What are the key properties of N-[(3-bromo-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine?
N-[(3-bromo-4-methoxy-2-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-[(3-bromo-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine is sourced from PubChem (CID 84806406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).