2-(1-amino-2-hydroxyethyl)-4,6-difluoro-3-methoxyphenol

C9H11F2NO3 — CID 117311713

IUPAC2-(1-amino-2-hydroxyethyl)-4,6-difluoro-3-methoxyphenol
SMILESCOc1c(F)cc(F)c(O)c1C(N)CO
InChIInChI=1S/C9H11F2NO3/c1-15-9-5(11)2-4(10)8(14)7(9)6(12)3-13/h2,6,13-14H,3,12H2,1H3
InChIKeyBNRZKKROMTXMEA-UHFFFAOYSA-N
MW219.19 g/mol
LogP0.67
Rot. Bonds3

About 2-(1-amino-2-hydroxyethyl)-4,6-difluoro-3-methoxyphenol

2-(1-amino-2-hydroxyethyl)-4,6-difluoro-3-methoxyphenol (PubChem CID 117311713) has the molecular formula C9H11F2NO3 and a molecular weight of 219.19 g/mol. Its IUPAC name is 2-(1-amino-2-hydroxyethyl)-4,6-difluoro-3-methoxyphenol.

Molecular Properties

Compound Name2-(1-amino-2-hydroxyethyl)-4,6-difluoro-3-methoxyphenol
PubChem CID117311713
Molecular FormulaC9H11F2NO3
Molecular Weight219.19 g/mol
Exact Mass219.07
IUPAC Name2-(1-amino-2-hydroxyethyl)-4,6-difluoro-3-methoxyphenol
SMILESCOc1c(F)cc(F)c(O)c1C(N)CO
InChIInChI=1S/C9H11F2NO3/c1-15-9-5(11)2-4(10)8(14)7(9)6(12)3-13/h2,6,13-14H,3,12H2,1H3
InChIKeyBNRZKKROMTXMEA-UHFFFAOYSA-N
XLogP0.67
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(3,5-difluoro-4-methoxyphenyl)ethanol
CID 67609119
(2S)-2-amino-2-(3,5-difluoro-2-methoxyphenyl)ethanol
CID 66514208
(2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride
CID 171215809
3-amino-3-(3,5-difluoro-2,6-dimethoxyphenyl)propanoic acid
CID 117406579
3-(3,5-difluoro-2-hydroxy-6-methoxyphenyl)butanal
CID 117332008
2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)ethanol
CID 117409035
4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol
CID 66514027
3-amino-3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol
CID 84703771
(2R)-2-amino-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 121235718
2-(1-amino-2-hydroxyethyl)-6-bromo-4-fluoro-3-methylphenol
CID 84711152
2-(1-amino-2-hydroxyethyl)-3-fluoro-4-methoxyphenol
CID 84776111
2-[(1R)-1-amino-2-hydroxyethyl]-4-fluoro-6-methoxyphenol
CID 66514040

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-hydroxyethyl)-4,6-difluoro-3-methoxyphenol?
The IUPAC name of 2-(1-amino-2-hydroxyethyl)-4,6-difluoro-3-methoxyphenol (CID 117311713) is 2-(1-amino-2-hydroxyethyl)-4,6-difluoro-3-methoxyphenol.
What is the SMILES notation for 2-(1-amino-2-hydroxyethyl)-4,6-difluoro-3-methoxyphenol?
The canonical SMILES for 2-(1-amino-2-hydroxyethyl)-4,6-difluoro-3-methoxyphenol is COc1c(F)cc(F)c(O)c1C(N)CO.
What is the InChIKey of 2-(1-amino-2-hydroxyethyl)-4,6-difluoro-3-methoxyphenol?
The InChIKey is BNRZKKROMTXMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO3/c1-15-9-5(11)2-4(10)8(14)7(9)6(12)3-13/h2,6,13-14H,3,12H2,1H3.
What are the key properties of 2-(1-amino-2-hydroxyethyl)-4,6-difluoro-3-methoxyphenol?
2-(1-amino-2-hydroxyethyl)-4,6-difluoro-3-methoxyphenol has a molecular weight of 219.19 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-hydroxyethyl)-4,6-difluoro-3-methoxyphenol is sourced from PubChem (CID 117311713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).