2-(2-aminoethoxy)-N-(2-fluoro-4-methylphenyl)acetamide

C11H15FN2O2 — CID 79463499

IUPAC2-(2-aminoethoxy)-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COCCN)c(F)c1
InChIInChI=1S/C11H15FN2O2/c1-8-2-3-10(9(12)6-8)14-11(15)7-16-5-4-13/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyXXIIODPWCGRXNC-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.05
Rot. Bonds5

About 2-(2-aminoethoxy)-N-(2-fluoro-4-methylphenyl)acetamide

2-(2-aminoethoxy)-N-(2-fluoro-4-methylphenyl)acetamide (PubChem CID 79463499) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(2-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(2-fluoro-4-methylphenyl)acetamide
PubChem CID79463499
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-(2-aminoethoxy)-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COCCN)c(F)c1
InChIInChI=1S/C11H15FN2O2/c1-8-2-3-10(9(12)6-8)14-11(15)7-16-5-4-13/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyXXIIODPWCGRXNC-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.05
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-aminoethoxy)-N-(2-fluoro-5-methylphenyl)acetamide
CID 79464256
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781013
2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550
N-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide
CID 7815061
2-[2-(2-fluoro-4-methylanilino)-2-oxoethoxy]-4-methylbenzamide
CID 24585355
5-[[2-(2-aminoethoxy)acetyl]amino]-2,4-difluorobenzoic acid
CID 79472946
2-(2-ethoxyphenoxy)-N-(2-fluoro-4-methylphenyl)acetamide
CID 8893933
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211570
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-butoxybenzoate
CID 8863143
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2,3-dimethylbenzoate
CID 7968230
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7862809

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(2-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(2-fluoro-4-methylphenyl)acetamide (CID 79463499) is 2-(2-aminoethoxy)-N-(2-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(2-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(2-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)COCCN)c(F)c1.
What is the InChIKey of 2-(2-aminoethoxy)-N-(2-fluoro-4-methylphenyl)acetamide?
The InChIKey is XXIIODPWCGRXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-8-2-3-10(9(12)6-8)14-11(15)7-16-5-4-13/h2-3,6H,4-5,7,13H2,1H3,(H,14,15).
What are the key properties of 2-(2-aminoethoxy)-N-(2-fluoro-4-methylphenyl)acetamide?
2-(2-aminoethoxy)-N-(2-fluoro-4-methylphenyl)acetamide has a molecular weight of 226.25 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(2-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 79463499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).