O-[(3-bromo-6-methoxy-2-methylphenyl)methyl]hydroxylamine

C9H12BrNO2 — CID 117366988

IUPACO-[(3-bromo-6-methoxy-2-methylphenyl)methyl]hydroxylamine
SMILESCOc1ccc(Br)c(C)c1CON
InChIInChI=1S/C9H12BrNO2/c1-6-7(5-13-11)9(12-2)4-3-8(6)10/h3-4H,5,11H2,1-2H3
InChIKeyCWPRKFRBZPKAHC-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.16
Rot. Bonds3

About O-[(3-bromo-6-methoxy-2-methylphenyl)methyl]hydroxylamine

O-[(3-bromo-6-methoxy-2-methylphenyl)methyl]hydroxylamine (PubChem CID 117366988) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is O-[(3-bromo-6-methoxy-2-methylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3-bromo-6-methoxy-2-methylphenyl)methyl]hydroxylamine
PubChem CID117366988
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC NameO-[(3-bromo-6-methoxy-2-methylphenyl)methyl]hydroxylamine
SMILESCOc1ccc(Br)c(C)c1CON
InChIInChI=1S/C9H12BrNO2/c1-6-7(5-13-11)9(12-2)4-3-8(6)10/h3-4H,5,11H2,1-2H3
InChIKeyCWPRKFRBZPKAHC-UHFFFAOYSA-N
XLogP2.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.16
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

O-[(3,6-dimethoxy-2-methylphenyl)methyl]hydroxylamine
CID 117286966
2-(3-bromo-6-methoxy-2-methylphenyl)acetonitrile
CID 84800303
1-bromo-3-(isocyanatomethyl)-4-methoxy-2-methylbenzene
CID 117393204
O-[(6-bromo-2,3-dimethylphenyl)methyl]hydroxylamine
CID 117331835
2-(3-bromo-6-methoxy-2-methylphenyl)propan-2-amine
CID 84805905
1-bromo-2,3-bis(bromomethyl)-4-methoxybenzene
CID 11740051
6-bromo-3-methoxy-2-methylaniline
CID 67280395
1-bromo-2,4-dimethoxy-3-(methoxymethyl)benzene
CID 10989047
(2,3-dibromo-6-methoxyphenyl)methanol
CID 171002454
O-[(5-methoxy-1-methylindol-4-yl)methyl]hydroxylamine
CID 117294860
O-[(3-bromo-2-fluoro-4-methoxyphenyl)methyl]hydroxylamine
CID 117378161
4-bromo-2-(methoxymethyl)-3-methylphenol
CID 21099368

Frequently Asked Questions

What is the IUPAC name of O-[(3-bromo-6-methoxy-2-methylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(3-bromo-6-methoxy-2-methylphenyl)methyl]hydroxylamine (CID 117366988) is O-[(3-bromo-6-methoxy-2-methylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3-bromo-6-methoxy-2-methylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(3-bromo-6-methoxy-2-methylphenyl)methyl]hydroxylamine is COc1ccc(Br)c(C)c1CON.
What is the InChIKey of O-[(3-bromo-6-methoxy-2-methylphenyl)methyl]hydroxylamine?
The InChIKey is CWPRKFRBZPKAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c1-6-7(5-13-11)9(12-2)4-3-8(6)10/h3-4H,5,11H2,1-2H3.
What are the key properties of O-[(3-bromo-6-methoxy-2-methylphenyl)methyl]hydroxylamine?
O-[(3-bromo-6-methoxy-2-methylphenyl)methyl]hydroxylamine has a molecular weight of 246.10 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3-bromo-6-methoxy-2-methylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117366988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).