2-[2-(ethylaminomethyl)-4-fluorophenoxy]butanamide

C13H19FN2O2 — CID 107695506

IUPAC2-[2-(ethylaminomethyl)-4-fluorophenoxy]butanamide
SMILESCCNCc1cc(F)ccc1OC(CC)C(N)=O
InChIInChI=1S/C13H19FN2O2/c1-3-11(13(15)17)18-12-6-5-10(14)7-9(12)8-16-4-2/h5-7,11,16H,3-4,8H2,1-2H3,(H2,15,17)
InChIKeySFZDKSPPEOEBLI-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.58
Rot. Bonds7

About 2-[2-(ethylaminomethyl)-4-fluorophenoxy]butanamide

2-[2-(ethylaminomethyl)-4-fluorophenoxy]butanamide (PubChem CID 107695506) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)-4-fluorophenoxy]butanamide.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)-4-fluorophenoxy]butanamide
PubChem CID107695506
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-[2-(ethylaminomethyl)-4-fluorophenoxy]butanamide
SMILESCCNCc1cc(F)ccc1OC(CC)C(N)=O
InChIInChI=1S/C13H19FN2O2/c1-3-11(13(15)17)18-12-6-5-10(14)7-9(12)8-16-4-2/h5-7,11,16H,3-4,8H2,1-2H3,(H2,15,17)
InChIKeySFZDKSPPEOEBLI-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-fluoro-2-(propylaminomethyl)phenoxy]butanamide
CID 107695830
2-(1-amino-1-oxobutan-2-yl)oxy-5-fluorobenzoic acid
CID 115297987
2-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]butanamide
CID 63057352
2-[2-chloro-4-(ethylaminomethyl)phenoxy]butanamide
CID 55132192
2-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanamide
CID 62899630
2-[2-(ethylaminomethyl)-4-fluorophenoxy]-N-pentan-3-ylacetamide
CID 107695704
ethyl 2-[2-(ethylaminomethyl)phenoxy]butanoate
CID 64669299
ethyl 2-[2-(2-aminoethyl)-4-fluorophenoxy]butanoate
CID 107700382
2-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]butanamide
CID 63056882
N-ethyl-2-[2-(ethylaminomethyl)-4-fluorophenoxy]acetamide
CID 107695692
2-[4-(ethylaminomethyl)-2-nitrophenoxy]butanamide
CID 62901529
N-[[5-fluoro-2-(4-fluorophenoxy)phenyl]methyl]ethanamine
CID 43314233

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylaminomethyl)-4-fluorophenoxy]butanamide?
The IUPAC name of 2-[2-(ethylaminomethyl)-4-fluorophenoxy]butanamide (CID 107695506) is 2-[2-(ethylaminomethyl)-4-fluorophenoxy]butanamide.
What is the SMILES notation for 2-[2-(ethylaminomethyl)-4-fluorophenoxy]butanamide?
The canonical SMILES for 2-[2-(ethylaminomethyl)-4-fluorophenoxy]butanamide is CCNCc1cc(F)ccc1OC(CC)C(N)=O.
What is the InChIKey of 2-[2-(ethylaminomethyl)-4-fluorophenoxy]butanamide?
The InChIKey is SFZDKSPPEOEBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-3-11(13(15)17)18-12-6-5-10(14)7-9(12)8-16-4-2/h5-7,11,16H,3-4,8H2,1-2H3,(H2,15,17).
What are the key properties of 2-[2-(ethylaminomethyl)-4-fluorophenoxy]butanamide?
2-[2-(ethylaminomethyl)-4-fluorophenoxy]butanamide has a molecular weight of 254.30 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)-4-fluorophenoxy]butanamide is sourced from PubChem (CID 107695506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).