1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone

C10H12FNO — CID 82075088

IUPAC1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C10H12FNO/c1-7-5-8(3-4-9(7)11)10(13)6-12-2/h3-5,12H,6H2,1-2H3
InChIKeyNHGWRXRGDJBSFC-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.54
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone

1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone (PubChem CID 82075088) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone
PubChem CID82075088
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C10H12FNO/c1-7-5-8(3-4-9(7)11)10(13)6-12-2/h3-5,12H,6H2,1-2H3
InChIKeyNHGWRXRGDJBSFC-UHFFFAOYSA-N
XLogP1.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluoro-3-methylphenyl)-2-(methylamino)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-[4-fluoro-3-(hydroxymethyl)phenyl]-2-(methylamino)ethanone
CID 117286820
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 84698309
2-(2,4-dimethylanilino)-1-(4-fluoro-3-methylphenyl)ethanone
CID 94281141
2-(cyclopentylamino)-1-(4-fluoro-3-methylphenyl)ethanone
CID 82116606
N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclopentanecarboxamide
CID 82122155
1-(4-fluoro-3-methylphenyl)pentan-1-one
CID 62619864
N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclohexanecarboxamide
CID 94285899
1-(3-amino-4,5-dimethylphenyl)-2-(methylamino)ethanone
CID 117108284
2-(4-fluoro-3-methylphenyl)-N-methyl-2-oxoacetamide
CID 82112119
2-(3,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63409718
1-(3-fluoro-4-pentan-3-ylphenyl)-2-(methylamino)ethanone
CID 117347376
1-[3,4-bis(methylsulfanyl)phenyl]-2-(methylamino)ethanone
CID 117355944

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone (CID 82075088) is 1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1ccc(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone?
The InChIKey is NHGWRXRGDJBSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-7-5-8(3-4-9(7)11)10(13)6-12-2/h3-5,12H,6H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone?
1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone has a molecular weight of 181.21 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 82075088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).