2-(2-aminooxyethyl)-3-bromo-6-methoxy-4-methylphenol

C10H14BrNO3 — CID 117441755

IUPAC2-(2-aminooxyethyl)-3-bromo-6-methoxy-4-methylphenol
SMILESCOc1cc(C)c(Br)c(CCON)c1O
InChIInChI=1S/C10H14BrNO3/c1-6-5-8(14-2)10(13)7(9(6)11)3-4-15-12/h5,13H,3-4,12H2,1-2H3
InChIKeyCOLZHHXKKJPWML-UHFFFAOYSA-N
MW276.13 g/mol
LogP1.90
Rot. Bonds4

About 2-(2-aminooxyethyl)-3-bromo-6-methoxy-4-methylphenol

2-(2-aminooxyethyl)-3-bromo-6-methoxy-4-methylphenol (PubChem CID 117441755) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is 2-(2-aminooxyethyl)-3-bromo-6-methoxy-4-methylphenol.

Molecular Properties

Compound Name2-(2-aminooxyethyl)-3-bromo-6-methoxy-4-methylphenol
PubChem CID117441755
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC Name2-(2-aminooxyethyl)-3-bromo-6-methoxy-4-methylphenol
SMILESCOc1cc(C)c(Br)c(CCON)c1O
InChIInChI=1S/C10H14BrNO3/c1-6-5-8(14-2)10(13)7(9(6)11)3-4-15-12/h5,13H,3-4,12H2,1-2H3
InChIKeyCOLZHHXKKJPWML-UHFFFAOYSA-N
XLogP1.90
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 51.90
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-bromo-6-hydroxy-5-methoxy-3-methylphenyl)propanal
CID 117434961
4-(2-bromo-6-hydroxy-5-methoxy-3-methylphenyl)butanoic acid
CID 117488061
2-bromo-5-methoxy-3,6-dimethylphenol
CID 84694171
2-(2-aminooxyethyl)-6-bromo-3,4-dimethylphenol
CID 117403959
2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol
CID 117335463
O-[2-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117445533
3-amino-1-(2-bromo-6-hydroxy-5-methoxy-3-methylphenyl)propan-1-one
CID 117464810
2-bromo-5,6-dimethoxy-3-methylphenol
CID 84705992
(2-bromo-5,6-dimethoxy-3-methylphenyl)methanamine
CID 84710081
3-(2-aminooxyethyl)-4-bromo-6-fluoro-2-methoxyphenol
CID 117449311
2-(3-hydroxypropyl)-6-methoxy-3,4-dimethylphenol
CID 117300572
3-(2-aminooxyethyl)-2-bromo-6-methylphenol
CID 117366968

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminooxyethyl)-3-bromo-6-methoxy-4-methylphenol?
The IUPAC name of 2-(2-aminooxyethyl)-3-bromo-6-methoxy-4-methylphenol (CID 117441755) is 2-(2-aminooxyethyl)-3-bromo-6-methoxy-4-methylphenol.
What is the SMILES notation for 2-(2-aminooxyethyl)-3-bromo-6-methoxy-4-methylphenol?
The canonical SMILES for 2-(2-aminooxyethyl)-3-bromo-6-methoxy-4-methylphenol is COc1cc(C)c(Br)c(CCON)c1O.
What is the InChIKey of 2-(2-aminooxyethyl)-3-bromo-6-methoxy-4-methylphenol?
The InChIKey is COLZHHXKKJPWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3/c1-6-5-8(14-2)10(13)7(9(6)11)3-4-15-12/h5,13H,3-4,12H2,1-2H3.
What are the key properties of 2-(2-aminooxyethyl)-3-bromo-6-methoxy-4-methylphenol?
2-(2-aminooxyethyl)-3-bromo-6-methoxy-4-methylphenol has a molecular weight of 276.13 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminooxyethyl)-3-bromo-6-methoxy-4-methylphenol is sourced from PubChem (CID 117441755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).