2-(2-aminooxyethyl)-4-fluoro-6-methylphenol

C9H12FNO2 — CID 117280100

IUPAC2-(2-aminooxyethyl)-4-fluoro-6-methylphenol
SMILESCc1cc(F)cc(CCON)c1O
InChIInChI=1S/C9H12FNO2/c1-6-4-8(10)5-7(9(6)12)2-3-13-11/h4-5,12H,2-3,11H2,1H3
InChIKeyWPRBTIJGUMFXIZ-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.27
Rot. Bonds3

About 2-(2-aminooxyethyl)-4-fluoro-6-methylphenol

2-(2-aminooxyethyl)-4-fluoro-6-methylphenol (PubChem CID 117280100) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-(2-aminooxyethyl)-4-fluoro-6-methylphenol.

Molecular Properties

Compound Name2-(2-aminooxyethyl)-4-fluoro-6-methylphenol
PubChem CID117280100
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name2-(2-aminooxyethyl)-4-fluoro-6-methylphenol
SMILESCc1cc(F)cc(CCON)c1O
InChIInChI=1S/C9H12FNO2/c1-6-4-8(10)5-7(9(6)12)2-3-13-11/h4-5,12H,2-3,11H2,1H3
InChIKeyWPRBTIJGUMFXIZ-UHFFFAOYSA-N
XLogP1.27
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.27
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)-6-[(dimethylamino)methyl]-4-fluorophenol
CID 117328956
4-fluoro-2-methyl-6-[2-(methylamino)ethyl]phenol
CID 83876237
5-(2-aminooxyethyl)-2-chloro-6-fluoro-3-methylphenol
CID 117313560
2-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-6-methylphenol
CID 105463029
O-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]hydroxylamine
CID 117279513
2-(5-fluoro-2-hydroxy-3-methylphenyl)acetaldehyde
CID 83873729
3-(2-aminooxyethyl)-2,6-dimethylphenol
CID 117278817
O-[2-(4-fluoro-2-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117288455
2-(aminooxymethyl)-4,6-difluorophenol
CID 117277154
3-(2-aminooxyethyl)-2-bromo-6-methylphenol
CID 117366968
4-fluoro-2-methyl-6-(piperidin-4-ylmethyl)phenol
CID 84789132
2-(aminooxymethyl)-6-[(dimethylamino)methyl]-4-fluorophenol
CID 117305510

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminooxyethyl)-4-fluoro-6-methylphenol?
The IUPAC name of 2-(2-aminooxyethyl)-4-fluoro-6-methylphenol (CID 117280100) is 2-(2-aminooxyethyl)-4-fluoro-6-methylphenol.
What is the SMILES notation for 2-(2-aminooxyethyl)-4-fluoro-6-methylphenol?
The canonical SMILES for 2-(2-aminooxyethyl)-4-fluoro-6-methylphenol is Cc1cc(F)cc(CCON)c1O.
What is the InChIKey of 2-(2-aminooxyethyl)-4-fluoro-6-methylphenol?
The InChIKey is WPRBTIJGUMFXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-6-4-8(10)5-7(9(6)12)2-3-13-11/h4-5,12H,2-3,11H2,1H3.
What are the key properties of 2-(2-aminooxyethyl)-4-fluoro-6-methylphenol?
2-(2-aminooxyethyl)-4-fluoro-6-methylphenol has a molecular weight of 185.20 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminooxyethyl)-4-fluoro-6-methylphenol is sourced from PubChem (CID 117280100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).