2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone

C9H10FNO2 — CID 79002350

IUPAC2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(F)cc1C(=O)CN
InChIInChI=1S/C9H10FNO2/c1-13-9-3-2-6(10)4-7(9)8(12)5-11/h2-4H,5,11H2,1H3
InChIKeyNPFJPHXVCRGTGY-UHFFFAOYSA-N
MW183.18 g/mol
LogP0.98
Rot. Bonds3

About 2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone

2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone (PubChem CID 79002350) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
PubChem CID79002350
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(F)cc1C(=O)CN
InChIInChI=1S/C9H10FNO2/c1-13-9-3-2-6(10)4-7(9)8(12)5-11/h2-4H,5,11H2,1H3
InChIKeyNPFJPHXVCRGTGY-UHFFFAOYSA-N
XLogP0.98
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone 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
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 40565888
1-(5-fluoro-2-methoxyphenyl)hexan-1-one
CID 43161521
4-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-4-oxobutanoic acid
CID 24727272
N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide
CID 119385341
propyl 5-fluoro-2-methoxybenzoate
CID 78846828
1-(5-fluoro-2-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799433
1-(5-fluoro-2-methoxyphenyl)-3-propoxypropan-1-one
CID 105125146
2-(2,4-difluorophenyl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43224824
2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 103162387
2-(2,3-dimethylphenoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43413586
2-amino-1-(2-ethyl-5-fluorophenyl)ethanone
CID 84768395

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone?
The IUPAC name of 2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone (CID 79002350) is 2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone?
The canonical SMILES for 2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone is COc1ccc(F)cc1C(=O)CN.
What is the InChIKey of 2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone?
The InChIKey is NPFJPHXVCRGTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-13-9-3-2-6(10)4-7(9)8(12)5-11/h2-4H,5,11H2,1H3.
What are the key properties of 2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone?
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone has a molecular weight of 183.18 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 79002350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).