2-(1-amino-2-hydroxyethyl)-3-fluoro-4-methoxyphenol

C9H12FNO3 — CID 84776111

IUPAC2-(1-amino-2-hydroxyethyl)-3-fluoro-4-methoxyphenol
SMILESCOc1ccc(O)c(C(N)CO)c1F
InChIInChI=1S/C9H12FNO3/c1-14-7-3-2-6(13)8(9(7)10)5(11)4-12/h2-3,5,12-13H,4,11H2,1H3
InChIKeyMIICGNOSXKOHCD-UHFFFAOYSA-N
MW201.20 g/mol
LogP0.53
Rot. Bonds3

About 2-(1-amino-2-hydroxyethyl)-3-fluoro-4-methoxyphenol

2-(1-amino-2-hydroxyethyl)-3-fluoro-4-methoxyphenol (PubChem CID 84776111) has the molecular formula C9H12FNO3 and a molecular weight of 201.20 g/mol. Its IUPAC name is 2-(1-amino-2-hydroxyethyl)-3-fluoro-4-methoxyphenol.

Molecular Properties

Compound Name2-(1-amino-2-hydroxyethyl)-3-fluoro-4-methoxyphenol
PubChem CID84776111
Molecular FormulaC9H12FNO3
Molecular Weight201.20 g/mol
Exact Mass201.08
IUPAC Name2-(1-amino-2-hydroxyethyl)-3-fluoro-4-methoxyphenol
SMILESCOc1ccc(O)c(C(N)CO)c1F
InChIInChI=1S/C9H12FNO3/c1-14-7-3-2-6(13)8(9(7)10)5(11)4-12/h2-3,5,12-13H,4,11H2,1H3
InChIKeyMIICGNOSXKOHCD-UHFFFAOYSA-N
XLogP0.53
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-amino-2-hydroxyethyl)-3-fluoro-4-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-amino-2-hydroxyethyl)-3-methoxyphenol
CID 77129655
2-(3-amino-1-hydroxypropyl)-3-fluoro-4-methoxyphenol
CID 84783831
2-(2-fluoro-3,6-dimethoxyphenyl)propan-1-ol
CID 117305436
3-amino-3-(6-bromo-2-fluoro-3-methoxyphenyl)propan-1-ol
CID 84714745
2-amino-2-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanol
CID 117334317
4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol
CID 66514027
2-[(1R)-1-amino-2-hydroxyethyl]benzene-1,3-diol
CID 66513524
4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)-hydroxymethyl]benzamide
CID 142582976
(3R)-3-amino-3-(2,6-difluoro-3-methoxyphenyl)propanoic acid
CID 124514694
(1R)-1-(2,6-difluoro-3-methoxyphenyl)butan-1-amine
CID 171215725
2-amino-3-(2,3-difluoro-4-methoxyphenyl)propan-1-ol
CID 170893663
1-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 55272050

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-hydroxyethyl)-3-fluoro-4-methoxyphenol?
The IUPAC name of 2-(1-amino-2-hydroxyethyl)-3-fluoro-4-methoxyphenol (CID 84776111) is 2-(1-amino-2-hydroxyethyl)-3-fluoro-4-methoxyphenol.
What is the SMILES notation for 2-(1-amino-2-hydroxyethyl)-3-fluoro-4-methoxyphenol?
The canonical SMILES for 2-(1-amino-2-hydroxyethyl)-3-fluoro-4-methoxyphenol is COc1ccc(O)c(C(N)CO)c1F.
What is the InChIKey of 2-(1-amino-2-hydroxyethyl)-3-fluoro-4-methoxyphenol?
The InChIKey is MIICGNOSXKOHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3/c1-14-7-3-2-6(13)8(9(7)10)5(11)4-12/h2-3,5,12-13H,4,11H2,1H3.
What are the key properties of 2-(1-amino-2-hydroxyethyl)-3-fluoro-4-methoxyphenol?
2-(1-amino-2-hydroxyethyl)-3-fluoro-4-methoxyphenol has a molecular weight of 201.20 g/mol, XLogP of 0.53, 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)-3-fluoro-4-methoxyphenol is sourced from PubChem (CID 84776111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).