2-(2-aminoethoxy)-1-(5-fluoro-2-methylphenyl)ethanone

C11H14FNO2 — CID 116590821

IUPAC2-(2-aminoethoxy)-1-(5-fluoro-2-methylphenyl)ethanone
SMILESCc1ccc(F)cc1C(=O)COCCN
InChIInChI=1S/C11H14FNO2/c1-8-2-3-9(12)6-10(8)11(14)7-15-5-4-13/h2-3,6H,4-5,7,13H2,1H3
InChIKeyXGCOKSDLXGGUBZ-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.29
Rot. Bonds5

About 2-(2-aminoethoxy)-1-(5-fluoro-2-methylphenyl)ethanone

2-(2-aminoethoxy)-1-(5-fluoro-2-methylphenyl)ethanone (PubChem CID 116590821) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-1-(5-fluoro-2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-aminoethoxy)-1-(5-fluoro-2-methylphenyl)ethanone
PubChem CID116590821
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-(2-aminoethoxy)-1-(5-fluoro-2-methylphenyl)ethanone
SMILESCc1ccc(F)cc1C(=O)COCCN
InChIInChI=1S/C11H14FNO2/c1-8-2-3-9(12)6-10(8)11(14)7-15-5-4-13/h2-3,6H,4-5,7,13H2,1H3
InChIKeyXGCOKSDLXGGUBZ-UHFFFAOYSA-N
XLogP1.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.29
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

1-(5-fluoro-2-methylphenyl)-2-propoxyethanone
CID 62791964
2-(2-aminoethoxy)-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 107514948
ethane;ethyl 5-fluoro-2-methylbenzoate
CID 143556291
1-(2,4-difluorophenyl)-2-(2-methoxyethoxy)ethanone
CID 43798986
1-(2,4-difluorophenyl)-2-(2-ethoxyethoxy)ethanone
CID 43798375
3-butoxy-1-(5-fluoro-2-methylphenyl)propan-1-one
CID 115002060
1-(2,4-difluorophenyl)-2-(3-methoxypropoxy)ethanone
CID 54936394
1-(2,4-difluorophenyl)-2-(3-methylbutoxy)ethanone
CID 43798523
1-(5-fluoro-2-methylphenyl)pentan-1-one
CID 62622324
1-(2,4-difluorophenyl)-2-hexoxyethanone
CID 43800649
N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-methylbenzamide
CID 114309490
N-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide
CID 106307851

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-1-(5-fluoro-2-methylphenyl)ethanone?
The IUPAC name of 2-(2-aminoethoxy)-1-(5-fluoro-2-methylphenyl)ethanone (CID 116590821) is 2-(2-aminoethoxy)-1-(5-fluoro-2-methylphenyl)ethanone.
What is the SMILES notation for 2-(2-aminoethoxy)-1-(5-fluoro-2-methylphenyl)ethanone?
The canonical SMILES for 2-(2-aminoethoxy)-1-(5-fluoro-2-methylphenyl)ethanone is Cc1ccc(F)cc1C(=O)COCCN.
What is the InChIKey of 2-(2-aminoethoxy)-1-(5-fluoro-2-methylphenyl)ethanone?
The InChIKey is XGCOKSDLXGGUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-8-2-3-9(12)6-10(8)11(14)7-15-5-4-13/h2-3,6H,4-5,7,13H2,1H3.
What are the key properties of 2-(2-aminoethoxy)-1-(5-fluoro-2-methylphenyl)ethanone?
2-(2-aminoethoxy)-1-(5-fluoro-2-methylphenyl)ethanone has a molecular weight of 211.24 g/mol, XLogP of 1.29, 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-(5-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 116590821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).