N-[(4-bromo-5-methoxy-2-methylphenyl)methyl]hydroxylamine

C9H12BrNO2 — CID 84803061

IUPACN-[(4-bromo-5-methoxy-2-methylphenyl)methyl]hydroxylamine
SMILESCOc1cc(CNO)c(C)cc1Br
InChIInChI=1S/C9H12BrNO2/c1-6-3-8(10)9(13-2)4-7(6)5-11-12/h3-4,11-12H,5H2,1-2H3
InChIKeyKDJYSOXIFPSWDA-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.24
Rot. Bonds3

About N-[(4-bromo-5-methoxy-2-methylphenyl)methyl]hydroxylamine

N-[(4-bromo-5-methoxy-2-methylphenyl)methyl]hydroxylamine (PubChem CID 84803061) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is N-[(4-bromo-5-methoxy-2-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(4-bromo-5-methoxy-2-methylphenyl)methyl]hydroxylamine
PubChem CID84803061
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC NameN-[(4-bromo-5-methoxy-2-methylphenyl)methyl]hydroxylamine
SMILESCOc1cc(CNO)c(C)cc1Br
InChIInChI=1S/C9H12BrNO2/c1-6-3-8(10)9(13-2)4-7(6)5-11-12/h3-4,11-12H,5H2,1-2H3
InChIKeyKDJYSOXIFPSWDA-UHFFFAOYSA-N
XLogP2.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-[(hydroxyamino)methyl]-2-methoxyphenol
CID 117372651
2-(4-bromo-5-methoxy-2-methylphenyl)-N-methylethanamine
CID 84805815
N-[(5-fluoro-2-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117280159
N-[(3-bromo-2-ethyl-4,5-dimethoxyphenyl)methyl]hydroxylamine
CID 117468655
N-[(5-methoxy-4-methyl-2-methylsulfonylphenyl)methyl]hydroxylamine
CID 117365232
N-[(4,5-dimethoxy-2-methylphenyl)methyl]carbamoyl bromide
CID 115193611
N-[(4-bromo-2-methylphenyl)methyl]hydroxylamine
CID 54220149
N-[(2,3-dimethoxy-5-methylphenyl)methyl]hydroxylamine
CID 117287016
N-[(2-bromo-3-methoxyphenyl)methyl]hydroxylamine
CID 117335656
2-methoxy-5-methyl-4-(methylaminomethyl)phenol
CID 105422769
N-[(5-bromo-2-fluoro-6-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 84807331
N-[(3-methoxy-4-methylphenyl)methyl]hydroxylamine
CID 117276489

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-methoxy-2-methylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(4-bromo-5-methoxy-2-methylphenyl)methyl]hydroxylamine (CID 84803061) is N-[(4-bromo-5-methoxy-2-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(4-bromo-5-methoxy-2-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(4-bromo-5-methoxy-2-methylphenyl)methyl]hydroxylamine is COc1cc(CNO)c(C)cc1Br.
What is the InChIKey of N-[(4-bromo-5-methoxy-2-methylphenyl)methyl]hydroxylamine?
The InChIKey is KDJYSOXIFPSWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c1-6-3-8(10)9(13-2)4-7(6)5-11-12/h3-4,11-12H,5H2,1-2H3.
What are the key properties of N-[(4-bromo-5-methoxy-2-methylphenyl)methyl]hydroxylamine?
N-[(4-bromo-5-methoxy-2-methylphenyl)methyl]hydroxylamine has a molecular weight of 246.10 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-methoxy-2-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 84803061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).