4-[2-(2-aminoethyl)-4-fluorophenoxy]-N-methylbutanamide

C13H19FN2O2 — CID 107700545

IUPAC4-[2-(2-aminoethyl)-4-fluorophenoxy]-N-methylbutanamide
SMILESCNC(=O)CCCOc1ccc(F)cc1CCN
InChIInChI=1S/C13H19FN2O2/c1-16-13(17)3-2-8-18-12-5-4-11(14)9-10(12)6-7-15/h4-5,9H,2-3,6-8,15H2,1H3,(H,16,17)
InChIKeyZPOGMHGFUUYJKD-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.23
Rot. Bonds7

About 4-[2-(2-aminoethyl)-4-fluorophenoxy]-N-methylbutanamide

4-[2-(2-aminoethyl)-4-fluorophenoxy]-N-methylbutanamide (PubChem CID 107700545) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-[2-(2-aminoethyl)-4-fluorophenoxy]-N-methylbutanamide.

Molecular Properties

Compound Name4-[2-(2-aminoethyl)-4-fluorophenoxy]-N-methylbutanamide
PubChem CID107700545
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name4-[2-(2-aminoethyl)-4-fluorophenoxy]-N-methylbutanamide
SMILESCNC(=O)CCCOc1ccc(F)cc1CCN
InChIInChI=1S/C13H19FN2O2/c1-16-13(17)3-2-8-18-12-5-4-11(14)9-10(12)6-7-15/h4-5,9H,2-3,6-8,15H2,1H3,(H,16,17)
InChIKeyZPOGMHGFUUYJKD-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-(2-aminoethyl)-4-fluorophenoxy]-N-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-fluoro-2-sulfamoylphenoxy)-N-methylbutanamide
CID 82915136
4-(2-acetyl-5-fluorophenoxy)-N-methylbutanamide
CID 63891646
3-(4-fluoro-2-formylphenoxy)-N-methylpropanamide
CID 107697303
4-[2-(aminomethyl)-3-fluorophenoxy]-N-methylbutanamide
CID 63892441
4-amino-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]butanamide
CID 115155399
2-[5-fluoro-2-(3-phenylpropoxy)phenyl]ethanamine
CID 107699954
4-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 63890303
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-phenylacetamide
CID 107700615
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N,N-diethylacetamide
CID 107700208
2-[5-fluoro-2-(2-phenoxyethoxy)phenyl]ethanamine
CID 107700188
2-(2-ethyl-4-fluorophenoxy)ethanamine
CID 152850030
4-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-methylbutanamide
CID 63891456

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethyl)-4-fluorophenoxy]-N-methylbutanamide?
The IUPAC name of 4-[2-(2-aminoethyl)-4-fluorophenoxy]-N-methylbutanamide (CID 107700545) is 4-[2-(2-aminoethyl)-4-fluorophenoxy]-N-methylbutanamide.
What is the SMILES notation for 4-[2-(2-aminoethyl)-4-fluorophenoxy]-N-methylbutanamide?
The canonical SMILES for 4-[2-(2-aminoethyl)-4-fluorophenoxy]-N-methylbutanamide is CNC(=O)CCCOc1ccc(F)cc1CCN.
What is the InChIKey of 4-[2-(2-aminoethyl)-4-fluorophenoxy]-N-methylbutanamide?
The InChIKey is ZPOGMHGFUUYJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-16-13(17)3-2-8-18-12-5-4-11(14)9-10(12)6-7-15/h4-5,9H,2-3,6-8,15H2,1H3,(H,16,17).
What are the key properties of 4-[2-(2-aminoethyl)-4-fluorophenoxy]-N-methylbutanamide?
4-[2-(2-aminoethyl)-4-fluorophenoxy]-N-methylbutanamide has a molecular weight of 254.30 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoethyl)-4-fluorophenoxy]-N-methylbutanamide is sourced from PubChem (CID 107700545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).