O-[2-(5-bromo-2-ethoxy-4-methoxyphenyl)ethyl]hydroxylamine

C11H16BrNO3 — CID 117468616

IUPACO-[2-(5-bromo-2-ethoxy-4-methoxyphenyl)ethyl]hydroxylamine
SMILESCCOc1cc(OC)c(Br)cc1CCON
InChIInChI=1S/C11H16BrNO3/c1-3-15-10-7-11(14-2)9(12)6-8(10)4-5-16-13/h6-7H,3-5,13H2,1-2H3
InChIKeyPFRJHXPGKQSSQQ-UHFFFAOYSA-N
MW290.16 g/mol
LogP2.29
Rot. Bonds6

About O-[2-(5-bromo-2-ethoxy-4-methoxyphenyl)ethyl]hydroxylamine

O-[2-(5-bromo-2-ethoxy-4-methoxyphenyl)ethyl]hydroxylamine (PubChem CID 117468616) has the molecular formula C11H16BrNO3 and a molecular weight of 290.16 g/mol. Its IUPAC name is O-[2-(5-bromo-2-ethoxy-4-methoxyphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(5-bromo-2-ethoxy-4-methoxyphenyl)ethyl]hydroxylamine
PubChem CID117468616
Molecular FormulaC11H16BrNO3
Molecular Weight290.16 g/mol
Exact Mass289.03
IUPAC NameO-[2-(5-bromo-2-ethoxy-4-methoxyphenyl)ethyl]hydroxylamine
SMILESCCOc1cc(OC)c(Br)cc1CCON
InChIInChI=1S/C11H16BrNO3/c1-3-15-10-7-11(14-2)9(12)6-8(10)4-5-16-13/h6-7H,3-5,13H2,1-2H3
InChIKeyPFRJHXPGKQSSQQ-UHFFFAOYSA-N
XLogP2.29
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

O-[2-(5-fluoro-2,4-dimethoxyphenyl)ethyl]hydroxylamine
CID 117306476
1-bromo-5-ethyl-2,4-dimethoxybenzene
CID 58764118
O-[2-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)ethyl]hydroxylamine
CID 117486423
3-(5-bromo-2-ethoxy-4-methoxyphenyl)butan-1-amine
CID 117486791
2-[2-(5-bromo-2,4-diethoxyphenyl)ethyl]-3-methyloxirane
CID 83934180
2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine
CID 170868746
[1-(5-bromo-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine
CID 117483371
1-bromo-4-ethoxy-2,5-diethylbenzene
CID 146408869
O-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117288455
O-[2-(3-bromo-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117403967
3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine
CID 171474993
O-[2-(2-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117304512

Frequently Asked Questions

What is the IUPAC name of O-[2-(5-bromo-2-ethoxy-4-methoxyphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(5-bromo-2-ethoxy-4-methoxyphenyl)ethyl]hydroxylamine (CID 117468616) is O-[2-(5-bromo-2-ethoxy-4-methoxyphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(5-bromo-2-ethoxy-4-methoxyphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(5-bromo-2-ethoxy-4-methoxyphenyl)ethyl]hydroxylamine is CCOc1cc(OC)c(Br)cc1CCON.
What is the InChIKey of O-[2-(5-bromo-2-ethoxy-4-methoxyphenyl)ethyl]hydroxylamine?
The InChIKey is PFRJHXPGKQSSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3/c1-3-15-10-7-11(14-2)9(12)6-8(10)4-5-16-13/h6-7H,3-5,13H2,1-2H3.
What are the key properties of O-[2-(5-bromo-2-ethoxy-4-methoxyphenyl)ethyl]hydroxylamine?
O-[2-(5-bromo-2-ethoxy-4-methoxyphenyl)ethyl]hydroxylamine has a molecular weight of 290.16 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(5-bromo-2-ethoxy-4-methoxyphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117468616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).