1-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one

C11H14FNO3 — CID 116826719

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one
SMILESCNCC(O)C(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C11H14FNO3/c1-13-6-9(14)11(15)7-3-4-10(16-2)8(12)5-7/h3-5,9,13-14H,6H2,1-2H3
InChIKeyVGTAFDOCYUJUNA-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.60
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one

1-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one (PubChem CID 116826719) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one
PubChem CID116826719
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one
SMILESCNCC(O)C(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C11H14FNO3/c1-13-6-9(14)11(15)7-3-4-10(16-2)8(12)5-7/h3-5,9,13-14H,6H2,1-2H3
InChIKeyVGTAFDOCYUJUNA-UHFFFAOYSA-N
XLogP0.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one 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

1-(4-ethoxy-3-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826759
1-(3-tert-butyl-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826728
1-(3-chloro-4-fluorophenyl)-2-hydroxy-3-(methylamino)propan-1-one
CID 116826787
2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 82048621
N-(3-chloro-2-methylpropyl)-3-fluoro-4-methoxybenzamide
CID 114302762
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-one
CID 116564462
N-(3-fluoro-4-methoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196660
2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 83153883
methyl 4-(3-fluoro-4-methoxyphenyl)-4-oxobutanoate
CID 65096259
2-amino-3-(3-fluoro-4-methoxyphenyl)-3-oxopropanoic acid
CID 116920466
1-(3-fluoro-4-methoxyphenyl)-4-(methylamino)butan-1-one
CID 116555583
N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide
CID 114296589

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one (CID 116826719) is 1-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one is CNCC(O)C(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one?
The InChIKey is VGTAFDOCYUJUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-13-6-9(14)11(15)7-3-4-10(16-2)8(12)5-7/h3-5,9,13-14H,6H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one?
1-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one has a molecular weight of 227.23 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one is sourced from PubChem (CID 116826719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).