2-(2-aminoethoxy)-1-(2,3-difluoro-4-methylphenyl)ethanone

C11H13F2NO2 — CID 107514948

IUPAC2-(2-aminoethoxy)-1-(2,3-difluoro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)COCCN)c(F)c1F
InChIInChI=1S/C11H13F2NO2/c1-7-2-3-8(11(13)10(7)12)9(15)6-16-5-4-14/h2-3H,4-6,14H2,1H3
InChIKeyNWUSKUQEBGTYLT-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.43
Rot. Bonds5

About 2-(2-aminoethoxy)-1-(2,3-difluoro-4-methylphenyl)ethanone

2-(2-aminoethoxy)-1-(2,3-difluoro-4-methylphenyl)ethanone (PubChem CID 107514948) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-1-(2,3-difluoro-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-aminoethoxy)-1-(2,3-difluoro-4-methylphenyl)ethanone
PubChem CID107514948
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name2-(2-aminoethoxy)-1-(2,3-difluoro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)COCCN)c(F)c1F
InChIInChI=1S/C11H13F2NO2/c1-7-2-3-8(11(13)10(7)12)9(15)6-16-5-4-14/h2-3H,4-6,14H2,1H3
InChIKeyNWUSKUQEBGTYLT-UHFFFAOYSA-N
XLogP1.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.43
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

2-(2-aminoethoxy)-1-(5-fluoro-2-methylphenyl)ethanone
CID 116590821
7-amino-1-(2,3-difluoro-4-methylphenyl)heptan-1-one
CID 107514831
2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 130981144
2-(2-aminoethoxy)-N-(2,6-difluoro-3-methylphenyl)acetamide
CID 82817938
1-(5-fluoro-2-methylphenyl)-2-propoxyethanone
CID 62791964
4-amino-1-(2,3-difluoro-4-methylphenyl)-3-methylbutan-1-one
CID 107514965
3-(2,3-difluoro-4-methylphenyl)-3-oxopropanoic acid
CID 170887172
2-(2-aminoethoxy)-1-(2-amino-5-methyl-3-pyridinyl)ethanone
CID 116591054
1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone
CID 107512541
2-(2-aminoethoxy)-1-(2,3-dichlorophenyl)ethanone
CID 116590901
1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone
CID 43798986
2,3-difluoro-N-methoxy-4-methylbenzamide
CID 168957228

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-1-(2,3-difluoro-4-methylphenyl)ethanone?
The IUPAC name of 2-(2-aminoethoxy)-1-(2,3-difluoro-4-methylphenyl)ethanone (CID 107514948) is 2-(2-aminoethoxy)-1-(2,3-difluoro-4-methylphenyl)ethanone.
What is the SMILES notation for 2-(2-aminoethoxy)-1-(2,3-difluoro-4-methylphenyl)ethanone?
The canonical SMILES for 2-(2-aminoethoxy)-1-(2,3-difluoro-4-methylphenyl)ethanone is Cc1ccc(C(=O)COCCN)c(F)c1F.
What is the InChIKey of 2-(2-aminoethoxy)-1-(2,3-difluoro-4-methylphenyl)ethanone?
The InChIKey is NWUSKUQEBGTYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-7-2-3-8(11(13)10(7)12)9(15)6-16-5-4-14/h2-3H,4-6,14H2,1H3.
What are the key properties of 2-(2-aminoethoxy)-1-(2,3-difluoro-4-methylphenyl)ethanone?
2-(2-aminoethoxy)-1-(2,3-difluoro-4-methylphenyl)ethanone has a molecular weight of 229.23 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-1-(2,3-difluoro-4-methylphenyl)ethanone is sourced from PubChem (CID 107514948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).