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

C9H12BrNO2 — CID 117366968

IUPAC3-(2-aminooxyethyl)-2-bromo-6-methylphenol
SMILESCc1ccc(CCON)c(Br)c1O
InChIInChI=1S/C9H12BrNO2/c1-6-2-3-7(4-5-13-11)8(10)9(6)12/h2-3,12H,4-5,11H2,1H3
InChIKeyOCCZVCHKBQPMMZ-UHFFFAOYSA-N
MW246.10 g/mol
LogP1.90
Rot. Bonds3

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

3-(2-aminooxyethyl)-2-bromo-6-methylphenol (PubChem CID 117366968) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is 3-(2-aminooxyethyl)-2-bromo-6-methylphenol.

Molecular Properties

Compound Name3-(2-aminooxyethyl)-2-bromo-6-methylphenol
PubChem CID117366968
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name3-(2-aminooxyethyl)-2-bromo-6-methylphenol
SMILESCc1ccc(CCON)c(Br)c1O
InChIInChI=1S/C9H12BrNO2/c1-6-2-3-7(4-5-13-11)8(10)9(6)12/h2-3,12H,4-5,11H2,1H3
InChIKeyOCCZVCHKBQPMMZ-UHFFFAOYSA-N
XLogP1.90
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 51.90
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

3-(2-aminooxyethyl)-2,6-dimethylphenol
CID 117278817
4-(2-aminooxyethyl)-2,3-dimethylphenol
CID 117278812
6-(2-aminoethyl)-2-bromo-3-methylphenol
CID 84693265
O-[2-(3-fluoro-2-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117288457
2-(2-aminooxyethyl)-4-fluoro-6-methylphenol
CID 117280100
2-(2-aminooxyethyl)-3-bromo-6-methoxy-4-methylphenol
CID 117441755
O-[2-(2-chloro-3-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117307430
2-(2-aminooxyethyl)-6-bromo-3,4-dimethylphenol
CID 117403959
6-(2-aminooxyethyl)-3-fluoro-2-methoxyphenol
CID 117289866
5-(2-aminooxyethyl)-2-chloro-6-fluoro-3-methylphenol
CID 117313560
O-[2-[5-(fluoromethyl)-2-methylphenyl]ethyl]hydroxylamine
CID 117279515
4-(2-aminooxyethyl)-3-(trifluoromethyl)phenol
CID 117315125

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminooxyethyl)-2-bromo-6-methylphenol?
The IUPAC name of 3-(2-aminooxyethyl)-2-bromo-6-methylphenol (CID 117366968) is 3-(2-aminooxyethyl)-2-bromo-6-methylphenol.
What is the SMILES notation for 3-(2-aminooxyethyl)-2-bromo-6-methylphenol?
The canonical SMILES for 3-(2-aminooxyethyl)-2-bromo-6-methylphenol is Cc1ccc(CCON)c(Br)c1O.
What is the InChIKey of 3-(2-aminooxyethyl)-2-bromo-6-methylphenol?
The InChIKey is OCCZVCHKBQPMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c1-6-2-3-7(4-5-13-11)8(10)9(6)12/h2-3,12H,4-5,11H2,1H3.
What are the key properties of 3-(2-aminooxyethyl)-2-bromo-6-methylphenol?
3-(2-aminooxyethyl)-2-bromo-6-methylphenol has a molecular weight of 246.10 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminooxyethyl)-2-bromo-6-methylphenol is sourced from PubChem (CID 117366968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).