2-(2-aminoethoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide

C13H19FN2O3 — CID 79473071

IUPAC2-(2-aminoethoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)COCCN
InChIInChI=1S/C13H19FN2O3/c1-16(13(17)10-18-8-6-15)7-9-19-12-4-2-11(14)3-5-12/h2-5H,6-10,15H2,1H3
InChIKeyZODRZCPOVYBTAR-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.64
Rot. Bonds8

About 2-(2-aminoethoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide

2-(2-aminoethoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide (PubChem CID 79473071) has the molecular formula C13H19FN2O3 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
PubChem CID79473071
Molecular FormulaC13H19FN2O3
Molecular Weight270.30 g/mol
Exact Mass270.14
IUPAC Name2-(2-aminoethoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)COCCN
InChIInChI=1S/C13H19FN2O3/c1-16(13(17)10-18-8-6-15)7-9-19-12-4-2-11(14)3-5-12/h2-5H,6-10,15H2,1H3
InChIKeyZODRZCPOVYBTAR-UHFFFAOYSA-N
XLogP0.64
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyanophenoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 26994100
2-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylacetamide
CID 103602421
N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 86909745
5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide
CID 43346690
(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 54995498
2-(aminomethyl)-2-ethyl-N-[2-(4-fluorophenoxy)ethyl]-N-methylbutanamide
CID 115432041
2-(2,4-dichlorophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 55431133
2-chloro-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 54592497
1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464033
3-[4-(difluoromethoxy)phenyl]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 78848365
4-(aminomethyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methyloxane-4-carboxamide
CID 120920103
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide (CID 79473071) is 2-(2-aminoethoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide is CN(CCOc1ccc(F)cc1)C(=O)COCCN.
What is the InChIKey of 2-(2-aminoethoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide?
The InChIKey is ZODRZCPOVYBTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3/c1-16(13(17)10-18-8-6-15)7-9-19-12-4-2-11(14)3-5-12/h2-5H,6-10,15H2,1H3.
What are the key properties of 2-(2-aminoethoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide?
2-(2-aminoethoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide has a molecular weight of 270.30 g/mol, XLogP of 0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide is sourced from PubChem (CID 79473071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).