3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2-methylpropanamide

C13H19FN2O2 — CID 107716852

IUPAC3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2-methylpropanamide
SMILESCNC(C)c1ccc(OCC(C)C(N)=O)cc1F
InChIInChI=1S/C13H19FN2O2/c1-8(13(15)17)7-18-10-4-5-11(9(2)16-3)12(14)6-10/h4-6,8-9,16H,7H2,1-3H3,(H2,15,17)
InChIKeyZKZZPFIEEOBSBO-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.61
Rot. Bonds6

About 3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2-methylpropanamide

3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2-methylpropanamide (PubChem CID 107716852) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2-methylpropanamide.

Molecular Properties

Compound Name3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2-methylpropanamide
PubChem CID107716852
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2-methylpropanamide
SMILESCNC(C)c1ccc(OCC(C)C(N)=O)cc1F
InChIInChI=1S/C13H19FN2O2/c1-8(13(15)17)7-18-10-4-5-11(9(2)16-3)12(14)6-10/h4-6,8-9,16H,7H2,1-3H3,(H2,15,17)
InChIKeyZKZZPFIEEOBSBO-UHFFFAOYSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-amino-2-methyl-3-oxopropoxy)-2-fluorobenzoic acid
CID 107675315
2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide
CID 107716600
3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,2-dimethylpropanoic acid
CID 107716703
1-ethoxy-3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]propan-2-ol
CID 107716918
methyl 3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2,2-dimethylpropanoate
CID 107716503
N-butan-2-yl-2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]acetamide
CID 107716470
3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 107716497
1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine
CID 107716952
2-methyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide
CID 43505066
1-[4-(2-ethylhexoxy)-2-fluorophenyl]-N-methylethanamine
CID 107716594
1-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine
CID 107891171
1-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]-N-methylethanamine
CID 107716917

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2-methylpropanamide?
The IUPAC name of 3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2-methylpropanamide (CID 107716852) is 3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2-methylpropanamide.
What is the SMILES notation for 3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2-methylpropanamide?
The canonical SMILES for 3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2-methylpropanamide is CNC(C)c1ccc(OCC(C)C(N)=O)cc1F.
What is the InChIKey of 3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2-methylpropanamide?
The InChIKey is ZKZZPFIEEOBSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-8(13(15)17)7-18-10-4-5-11(9(2)16-3)12(14)6-10/h4-6,8-9,16H,7H2,1-3H3,(H2,15,17).
What are the key properties of 3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2-methylpropanamide?
3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2-methylpropanamide has a molecular weight of 254.30 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2-methylpropanamide is sourced from PubChem (CID 107716852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).