2-(2-aminooxyethyl)-6-bromo-3,4-dimethylphenol

C10H14BrNO2 — CID 117403959

IUPAC2-(2-aminooxyethyl)-6-bromo-3,4-dimethylphenol
SMILESCc1cc(Br)c(O)c(CCON)c1C
InChIInChI=1S/C10H14BrNO2/c1-6-5-9(11)10(13)8(7(6)2)3-4-14-12/h5,13H,3-4,12H2,1-2H3
InChIKeyOANUFBHBDXTCAC-UHFFFAOYSA-N
MW260.13 g/mol
LogP2.20
Rot. Bonds3

About 2-(2-aminooxyethyl)-6-bromo-3,4-dimethylphenol

2-(2-aminooxyethyl)-6-bromo-3,4-dimethylphenol (PubChem CID 117403959) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 2-(2-aminooxyethyl)-6-bromo-3,4-dimethylphenol.

Molecular Properties

Compound Name2-(2-aminooxyethyl)-6-bromo-3,4-dimethylphenol
PubChem CID117403959
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name2-(2-aminooxyethyl)-6-bromo-3,4-dimethylphenol
SMILESCc1cc(Br)c(O)c(CCON)c1C
InChIInChI=1S/C10H14BrNO2/c1-6-5-9(11)10(13)8(7(6)2)3-4-14-12/h5,13H,3-4,12H2,1-2H3
InChIKeyOANUFBHBDXTCAC-UHFFFAOYSA-N
XLogP2.20
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 52.20
H-Bond Donors ≤ 52
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-(2-aminooxyethyl)-3-bromo-6-methoxy-4-methylphenol
CID 117441755
6-bromo-3,4-dimethyl-2-(2-piperazin-1-ylethyl)phenol
CID 117498633
O-[2-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethyl]hydroxylamine
CID 117310349
6-bromo-2-(isocyanatomethyl)-3,4-dimethylphenol
CID 117393211
3-(2-aminooxyethyl)-4-bromo-6-fluoro-2-methoxyphenol
CID 117449311
2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol
CID 117335463
3-(2-aminooxyethyl)-2-bromo-6-methylphenol
CID 117366968
6-bromo-2-methoxy-3,4-dimethylphenol
CID 84694174
2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol
CID 84806983
3-(2-aminooxyethyl)-2,6-dimethylphenol
CID 117278817
O-[2-(7-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]hydroxylamine
CID 117464904
3-(2-aminooxyethyl)-4-bromo-2-methoxyphenol
CID 117409388

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminooxyethyl)-6-bromo-3,4-dimethylphenol?
The IUPAC name of 2-(2-aminooxyethyl)-6-bromo-3,4-dimethylphenol (CID 117403959) is 2-(2-aminooxyethyl)-6-bromo-3,4-dimethylphenol.
What is the SMILES notation for 2-(2-aminooxyethyl)-6-bromo-3,4-dimethylphenol?
The canonical SMILES for 2-(2-aminooxyethyl)-6-bromo-3,4-dimethylphenol is Cc1cc(Br)c(O)c(CCON)c1C.
What is the InChIKey of 2-(2-aminooxyethyl)-6-bromo-3,4-dimethylphenol?
The InChIKey is OANUFBHBDXTCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-6-5-9(11)10(13)8(7(6)2)3-4-14-12/h5,13H,3-4,12H2,1-2H3.
What are the key properties of 2-(2-aminooxyethyl)-6-bromo-3,4-dimethylphenol?
2-(2-aminooxyethyl)-6-bromo-3,4-dimethylphenol has a molecular weight of 260.13 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminooxyethyl)-6-bromo-3,4-dimethylphenol is sourced from PubChem (CID 117403959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).