1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one

C13H16F3NO2 — CID 116591542

IUPAC1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one
SMILESCOCCNCC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-19-7-6-17-9-12(18)8-10-2-4-11(5-3-10)13(14,15)16/h2-5,17H,6-9H2,1H3
InChIKeyNCYQGNVELOGMBO-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.05
Rot. Bonds7

About 1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one

1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 116591542) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one
PubChem CID116591542
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one
SMILESCOCCNCC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-19-7-6-17-9-12(18)8-10-2-4-11(5-3-10)13(14,15)16/h2-5,17H,6-9H2,1H3
InChIKeyNCYQGNVELOGMBO-UHFFFAOYSA-N
XLogP2.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-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-(2-methoxyethylamino)-3-(4-propan-2-ylphenyl)propan-2-one
CID 116591634
1-(2,2,2-trifluoroethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 116588598
N-(2-methoxyethoxy)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79673463
1-(3,4-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 116591432
1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 114935457
1-(2-methoxyethylamino)-3-(3-methoxyphenyl)propan-2-one
CID 116591504
2-(2-methoxyethylamino)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]ethanone;dihydrochloride
CID 119838229
3-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid
CID 53443936
2-(2-methoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 113220833
1-(4-tert-butylphenyl)-4-methoxybutan-2-one
CID 62619886
3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480479
1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 114863460

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one (CID 116591542) is 1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one is COCCNCC(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is NCYQGNVELOGMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-19-7-6-17-9-12(18)8-10-2-4-11(5-3-10)13(14,15)16/h2-5,17H,6-9H2,1H3.
What are the key properties of 1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one?
1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 275.27 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 116591542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).