2-(2-methoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanone

C12H14F3NO2 — CID 113220833

IUPAC2-(2-methoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESCOCCNCC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-18-6-5-16-8-11(17)9-3-2-4-10(7-9)12(13,14)15/h2-4,7,16H,5-6,8H2,1H3
InChIKeyUPRNZXIHWAZYOI-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.12
Rot. Bonds6

About 2-(2-methoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanone

2-(2-methoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 113220833) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID113220833
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2-(2-methoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESCOCCNCC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO2/c1-18-6-5-16-8-11(17)9-3-2-4-10(7-9)12(13,14)15/h2-4,7,16H,5-6,8H2,1H3
InChIKeyUPRNZXIHWAZYOI-UHFFFAOYSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
2-(2-methoxyethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 78913899
2-chloro-N-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 155212094
2-(2-methoxyethylamino)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 116591610
2-(2-methoxyethylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]acetamide
CID 119772784
1-(3-amino-4-fluorophenyl)-2-(2-methoxyethylamino)ethanone
CID 98014554
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833709
N-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide
CID 106243205
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
2-ethyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 62596429
1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 116591542
2-iodo-1-[3-(trifluoromethyl)phenyl]ethanone
CID 22137990

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(2-methoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanone (CID 113220833) is 2-(2-methoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(2-methoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanone is COCCNCC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-methoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is UPRNZXIHWAZYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-18-6-5-16-8-11(17)9-3-2-4-10(7-9)12(13,14)15/h2-4,7,16H,5-6,8H2,1H3.
What are the key properties of 2-(2-methoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanone?
2-(2-methoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 261.24 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 113220833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).