1-(5-fluoro-2-methoxyphenyl)-2-methyl-3-(methylamino)propan-1-one

C12H16FNO2 — CID 116586971

IUPAC1-(5-fluoro-2-methoxyphenyl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)c1cc(F)ccc1OC
InChIInChI=1S/C12H16FNO2/c1-8(7-14-2)12(15)10-6-9(13)4-5-11(10)16-3/h4-6,8,14H,7H2,1-3H3
InChIKeyZPJJVAJOZLLFON-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.87
Rot. Bonds5

About 1-(5-fluoro-2-methoxyphenyl)-2-methyl-3-(methylamino)propan-1-one

1-(5-fluoro-2-methoxyphenyl)-2-methyl-3-(methylamino)propan-1-one (PubChem CID 116586971) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-2-methyl-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-2-methyl-3-(methylamino)propan-1-one
PubChem CID116586971
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-2-methyl-3-(methylamino)propan-1-one
SMILESCNCC(C)C(=O)c1cc(F)ccc1OC
InChIInChI=1S/C12H16FNO2/c1-8(7-14-2)12(15)10-6-9(13)4-5-11(10)16-3/h4-6,8,14H,7H2,1-3H3
InChIKeyZPJJVAJOZLLFON-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-fluoro-2-methoxyphenyl)-2-methyl-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-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-one
CID 43161544
methyl 2-(5-fluoro-2-methoxybenzoyl)butanoate
CID 116923588
methyl 5-fluoro-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzoate
CID 79196610
2-bromo-3-chloro-1-(5-fluoro-2-methoxyphenyl)propan-1-one
CID 82124582
2-ethoxy-1-(5-fluoro-2-methoxyphenyl)butan-1-one
CID 116707692
1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 119833182
N-(3-fluoro-4-methoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196660
N-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide
CID 94270193
2-[(5-fluoro-2-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120977642
1-(3-fluorophenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586938
1-(4-methoxy-2-methylphenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586918
N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide
CID 119385341

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-methyl-3-(methylamino)propan-1-one?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-2-methyl-3-(methylamino)propan-1-one (CID 116586971) is 1-(5-fluoro-2-methoxyphenyl)-2-methyl-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-2-methyl-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-2-methyl-3-(methylamino)propan-1-one is CNCC(C)C(=O)c1cc(F)ccc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-2-methyl-3-(methylamino)propan-1-one?
The InChIKey is ZPJJVAJOZLLFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-8(7-14-2)12(15)10-6-9(13)4-5-11(10)16-3/h4-6,8,14H,7H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-2-methyl-3-(methylamino)propan-1-one?
1-(5-fluoro-2-methoxyphenyl)-2-methyl-3-(methylamino)propan-1-one has a molecular weight of 225.26 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-2-methyl-3-(methylamino)propan-1-one is sourced from PubChem (CID 116586971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).