3-fluoro-2-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol

C9H12FNO3 — CID 84776097

IUPAC3-fluoro-2-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CN(C)O)c1F
InChIInChI=1S/C9H12FNO3/c1-11(13)5-6-7(12)3-4-8(14-2)9(6)10/h3-4,12-13H,5H2,1-2H3
InChIKeyFUFZVWPGSFKZBQ-UHFFFAOYSA-N
MW201.20 g/mol
LogP1.36
Rot. Bonds3

About 3-fluoro-2-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol

3-fluoro-2-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol (PubChem CID 84776097) has the molecular formula C9H12FNO3 and a molecular weight of 201.20 g/mol. Its IUPAC name is 3-fluoro-2-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name3-fluoro-2-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
PubChem CID84776097
Molecular FormulaC9H12FNO3
Molecular Weight201.20 g/mol
Exact Mass201.08
IUPAC Name3-fluoro-2-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CN(C)O)c1F
InChIInChI=1S/C9H12FNO3/c1-11(13)5-6-7(12)3-4-8(14-2)9(6)10/h3-4,12-13H,5H2,1-2H3
InChIKeyFUFZVWPGSFKZBQ-UHFFFAOYSA-N
XLogP1.36
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
CID 84776098
N-[(2-bromo-6-fluoro-3-methoxyphenyl)methyl]-N-methylhydroxylamine
CID 84807297
2-amino-3-(2-fluoro-6-hydroxy-3-methoxyphenyl)propanoic acid
CID 84792577
5-chloro-2-fluoro-3-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol
CID 84797746
N-[(2-bromo-6-methoxy-3-methylphenyl)methyl]-N-methylhydroxylamine
CID 84806414
2-(1-amino-2-hydroxyethyl)-3-fluoro-4-methoxyphenol
CID 84776111
N-[[2,6-dimethoxy-4-(trifluoromethyl)phenyl]methyl]-N-methylhydroxylamine
CID 84807567
4,6-difluoro-7-methoxydibenzothiophen-3-ol
CID 131993041
4,6-difluoro-7-methoxydibenzofuran-3-ol
CID 118372765
2-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 10797664
1-chloro-2-ethyl-3-fluoro-4-methoxybenzene
CID 118261733
2-(3-amino-1-hydroxypropyl)-3-fluoro-4-methoxyphenol
CID 84783831

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol?
The IUPAC name of 3-fluoro-2-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol (CID 84776097) is 3-fluoro-2-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol.
What is the SMILES notation for 3-fluoro-2-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol?
The canonical SMILES for 3-fluoro-2-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol is COc1ccc(O)c(CN(C)O)c1F.
What is the InChIKey of 3-fluoro-2-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol?
The InChIKey is FUFZVWPGSFKZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3/c1-11(13)5-6-7(12)3-4-8(14-2)9(6)10/h3-4,12-13H,5H2,1-2H3.
What are the key properties of 3-fluoro-2-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol?
3-fluoro-2-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol has a molecular weight of 201.20 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[[hydroxy(methyl)amino]methyl]-4-methoxyphenol is sourced from PubChem (CID 84776097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).