O-[2-(3-bromo-2-methoxy-5-methylphenyl)ethyl]hydroxylamine

C10H14BrNO2 — CID 117403967

IUPACO-[2-(3-bromo-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
SMILESCOc1c(Br)cc(C)cc1CCON
InChIInChI=1S/C10H14BrNO2/c1-7-5-8(3-4-14-12)10(13-2)9(11)6-7/h5-6H,3-4,12H2,1-2H3
InChIKeyHLQKXBGRHOXHIJ-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.20
Rot. Bonds4

About O-[2-(3-bromo-2-methoxy-5-methylphenyl)ethyl]hydroxylamine

O-[2-(3-bromo-2-methoxy-5-methylphenyl)ethyl]hydroxylamine (PubChem CID 117403967) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is O-[2-(3-bromo-2-methoxy-5-methylphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(3-bromo-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
PubChem CID117403967
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC NameO-[2-(3-bromo-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
SMILESCOc1c(Br)cc(C)cc1CCON
InChIInChI=1S/C10H14BrNO2/c1-7-5-8(3-4-14-12)10(13-2)9(11)6-7/h5-6H,3-4,12H2,1-2H3
InChIKeyHLQKXBGRHOXHIJ-UHFFFAOYSA-N
XLogP2.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.20
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

2-Bromo-4-methylanisole
CID 89143
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CID 641270
3-Bromo-4-methoxybiphenyl
CID 262267
4-Bromo-2,6-dimethylanisole
CID 278654
5-Bromo-1,3-di-tert-butyl-2-methoxybenzene
CID 13691541
2-Bromo-6-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 60148602
2-Bromo-4-tert-butyl-1-methoxybenzene
CID 12657723
2-Bromo-4-ethyl-1-methoxybenzene
CID 13838825
3,3'-Dibromo-4,4'-dimethoxybiphenyl
CID 15040359
2-(3-Bromo-4-methoxyphenyl)ethanol
CID 23002254
1-Bromo-3-(bromomethyl)-2-methoxybenzene
CID 57813498
1-Bromo-5-fluoro-2-methoxy-3-methylbenzene
CID 71102275

Frequently Asked Questions

What is the IUPAC name of O-[2-(3-bromo-2-methoxy-5-methylphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(3-bromo-2-methoxy-5-methylphenyl)ethyl]hydroxylamine (CID 117403967) is O-[2-(3-bromo-2-methoxy-5-methylphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(3-bromo-2-methoxy-5-methylphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(3-bromo-2-methoxy-5-methylphenyl)ethyl]hydroxylamine is COc1c(Br)cc(C)cc1CCON.
What is the InChIKey of O-[2-(3-bromo-2-methoxy-5-methylphenyl)ethyl]hydroxylamine?
The InChIKey is HLQKXBGRHOXHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-7-5-8(3-4-14-12)10(13-2)9(11)6-7/h5-6H,3-4,12H2,1-2H3.
What are the key properties of O-[2-(3-bromo-2-methoxy-5-methylphenyl)ethyl]hydroxylamine?
O-[2-(3-bromo-2-methoxy-5-methylphenyl)ethyl]hydroxylamine has a molecular weight of 260.13 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(3-bromo-2-methoxy-5-methylphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117403967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).