3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide

C13H19FN2O2 — CID 112609547

IUPAC3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide
SMILESCCNCc1cccc(F)c1OCC(C)C(N)=O
InChIInChI=1S/C13H19FN2O2/c1-3-16-7-10-5-4-6-11(14)12(10)18-8-9(2)13(15)17/h4-6,9,16H,3,7-8H2,1-2H3,(H2,15,17)
InChIKeyFXIWKRFXKSEPGH-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.44
Rot. Bonds7

About 3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide

3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide (PubChem CID 112609547) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide.

Molecular Properties

Compound Name3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide
PubChem CID112609547
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide
SMILESCCNCc1cccc(F)c1OCC(C)C(N)=O
InChIInChI=1S/C13H19FN2O2/c1-3-16-7-10-5-4-6-11(14)12(10)18-8-9(2)13(15)17/h4-6,9,16H,3,7-8H2,1-2H3,(H2,15,17)
InChIKeyFXIWKRFXKSEPGH-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-bromo-6-(ethylaminomethyl)phenoxy]-2-methylpropanamide
CID 61390121
3-[2-(2-aminoethyl)-6-fluorophenoxy]-2-methylpropanamide
CID 112615263
N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 112609626
3-[2-(ethylaminomethyl)-6-fluorophenoxy]-1,1,1-trifluoropropan-2-ol
CID 112609565
2-(3-amino-2-methyl-3-oxopropoxy)-3-fluorobenzoic acid
CID 112612114
methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate
CID 112609552
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide
CID 112609657
2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 112610813
N-[[2-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 115953355
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N,N-dimethylpropanamide
CID 112609537
1-butoxy-3-[2-(ethylaminomethyl)-6-fluorophenoxy]propan-2-ol
CID 107262389
N-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 112609648

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide?
The IUPAC name of 3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide (CID 112609547) is 3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide.
What is the SMILES notation for 3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide?
The canonical SMILES for 3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide is CCNCc1cccc(F)c1OCC(C)C(N)=O.
What is the InChIKey of 3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide?
The InChIKey is FXIWKRFXKSEPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-3-16-7-10-5-4-6-11(14)12(10)18-8-9(2)13(15)17/h4-6,9,16H,3,7-8H2,1-2H3,(H2,15,17).
What are the key properties of 3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide?
3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide has a molecular weight of 254.30 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide is sourced from PubChem (CID 112609547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).