3-(2-aminooxyethyl)-4-bromo-2-methoxyphenol

C9H12BrNO3 — CID 117409388

IUPAC3-(2-aminooxyethyl)-4-bromo-2-methoxyphenol
SMILESCOc1c(O)ccc(Br)c1CCON
InChIInChI=1S/C9H12BrNO3/c1-13-9-6(4-5-14-11)7(10)2-3-8(9)12/h2-3,12H,4-5,11H2,1H3
InChIKeyAKWXGKJOGFPTFN-UHFFFAOYSA-N
MW262.10 g/mol
LogP1.60
Rot. Bonds4

About 3-(2-aminooxyethyl)-4-bromo-2-methoxyphenol

3-(2-aminooxyethyl)-4-bromo-2-methoxyphenol (PubChem CID 117409388) has the molecular formula C9H12BrNO3 and a molecular weight of 262.10 g/mol. Its IUPAC name is 3-(2-aminooxyethyl)-4-bromo-2-methoxyphenol.

Molecular Properties

Compound Name3-(2-aminooxyethyl)-4-bromo-2-methoxyphenol
PubChem CID117409388
Molecular FormulaC9H12BrNO3
Molecular Weight262.10 g/mol
Exact Mass261.00
IUPAC Name3-(2-aminooxyethyl)-4-bromo-2-methoxyphenol
SMILESCOc1c(O)ccc(Br)c1CCON
InChIInChI=1S/C9H12BrNO3/c1-13-9-6(4-5-14-11)7(10)2-3-8(9)12/h2-3,12H,4-5,11H2,1H3
InChIKeyAKWXGKJOGFPTFN-UHFFFAOYSA-N
XLogP1.60
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminooxyethyl)-4-bromo-6-fluoro-2-methoxyphenol
CID 117449311
2-(6-bromo-3-hydroxy-2-methoxyphenyl)acetaldehyde
CID 71769437
2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol
CID 117335463
3-(2-aminoethyl)-2-methoxy-4-methylphenol
CID 117278761
1-(2-aminooxyethyl)naphthalen-2-ol
CID 117291431
O-[2-[2-methoxy-3,6-di(propan-2-yl)phenyl]ethyl]hydroxylamine
CID 117382145
2-(2-aminooxyethyl)-3-bromo-6-methoxy-4-methylphenol
CID 117441755
O-[2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117445533
O-[2-(3-bromo-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117403967
2-(2-aminooxyethyl)-6-bromo-3,4-dimethylphenol
CID 117403959
3-(6-bromo-3-fluoro-2-methoxyphenyl)propan-1-amine
CID 83902095
6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol
CID 117289866

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminooxyethyl)-4-bromo-2-methoxyphenol?
The IUPAC name of 3-(2-aminooxyethyl)-4-bromo-2-methoxyphenol (CID 117409388) is 3-(2-aminooxyethyl)-4-bromo-2-methoxyphenol.
What is the SMILES notation for 3-(2-aminooxyethyl)-4-bromo-2-methoxyphenol?
The canonical SMILES for 3-(2-aminooxyethyl)-4-bromo-2-methoxyphenol is COc1c(O)ccc(Br)c1CCON.
What is the InChIKey of 3-(2-aminooxyethyl)-4-bromo-2-methoxyphenol?
The InChIKey is AKWXGKJOGFPTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO3/c1-13-9-6(4-5-14-11)7(10)2-3-8(9)12/h2-3,12H,4-5,11H2,1H3.
What are the key properties of 3-(2-aminooxyethyl)-4-bromo-2-methoxyphenol?
3-(2-aminooxyethyl)-4-bromo-2-methoxyphenol has a molecular weight of 262.10 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminooxyethyl)-4-bromo-2-methoxyphenol is sourced from PubChem (CID 117409388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).