2-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]ethoxy]acetamide

C13H19FN2O2 — CID 106235231

IUPAC2-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]ethoxy]acetamide
SMILESCc1ccc(C(C)NCCOCC(N)=O)cc1F
InChIInChI=1S/C13H19FN2O2/c1-9-3-4-11(7-12(9)14)10(2)16-5-6-18-8-13(15)17/h3-4,7,10,16H,5-6,8H2,1-2H3,(H2,15,17)
InChIKeyAQRJLTHVFSTBEZ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.29
Rot. Bonds7

About 2-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]ethoxy]acetamide

2-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]ethoxy]acetamide (PubChem CID 106235231) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]ethoxy]acetamide
PubChem CID106235231
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]ethoxy]acetamide
SMILESCc1ccc(C(C)NCCOCC(N)=O)cc1F
InChIInChI=1S/C13H19FN2O2/c1-9-3-4-11(7-12(9)14)10(2)16-5-6-18-8-13(15)17/h3-4,7,10,16H,5-6,8H2,1-2H3,(H2,15,17)
InChIKeyAQRJLTHVFSTBEZ-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[1-(3,5-dimethylphenyl)ethylamino]ethoxy]acetamide
CID 106235235
2-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethoxy]acetamide
CID 106236290
2-[2-[1-(2,5-dimethylphenyl)ethylamino]ethoxy]acetamide
CID 106235967
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
2-[2-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]ethoxy]acetamide
CID 106235133
1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 115894167
N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 97053597
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 8637979
2-[2-[1-(4-fluorophenyl)propan-2-ylamino]ethoxy]acetamide
CID 106235256
(2R)-1-[[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]amino]butan-2-ol
CID 97051735
1-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-methylbutan-2-ol
CID 113261628
N-[1-(3-fluoro-4-methylphenyl)ethyl]-3-methylsulfinylbutan-1-amine
CID 113348963

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]ethoxy]acetamide (CID 106235231) is 2-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]ethoxy]acetamide is Cc1ccc(C(C)NCCOCC(N)=O)cc1F.
What is the InChIKey of 2-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]ethoxy]acetamide?
The InChIKey is AQRJLTHVFSTBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9-3-4-11(7-12(9)14)10(2)16-5-6-18-8-13(15)17/h3-4,7,10,16H,5-6,8H2,1-2H3,(H2,15,17).
What are the key properties of 2-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]ethoxy]acetamide?
2-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]ethoxy]acetamide has a molecular weight of 254.30 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]ethoxy]acetamide is sourced from PubChem (CID 106235231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).