3-[4-fluoro-2-(propylaminomethyl)phenoxy]propanamide

C13H19FN2O2 — CID 107695803

IUPAC3-[4-fluoro-2-(propylaminomethyl)phenoxy]propanamide
SMILESCCCNCc1cc(F)ccc1OCCC(N)=O
InChIInChI=1S/C13H19FN2O2/c1-2-6-16-9-10-8-11(14)3-4-12(10)18-7-5-13(15)17/h3-4,8,16H,2,5-7,9H2,1H3,(H2,15,17)
InChIKeyMHEXUCVUKGIOIY-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.58
Rot. Bonds8

About 3-[4-fluoro-2-(propylaminomethyl)phenoxy]propanamide

3-[4-fluoro-2-(propylaminomethyl)phenoxy]propanamide (PubChem CID 107695803) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 3-[4-fluoro-2-(propylaminomethyl)phenoxy]propanamide.

Molecular Properties

Compound Name3-[4-fluoro-2-(propylaminomethyl)phenoxy]propanamide
PubChem CID107695803
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name3-[4-fluoro-2-(propylaminomethyl)phenoxy]propanamide
SMILESCCCNCc1cc(F)ccc1OCCC(N)=O
InChIInChI=1S/C13H19FN2O2/c1-2-6-16-9-10-8-11(14)3-4-12(10)18-7-5-13(15)17/h3-4,8,16H,2,5-7,9H2,1H3,(H2,15,17)
InChIKeyMHEXUCVUKGIOIY-UHFFFAOYSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

3-[4-bromo-2-(propylaminomethyl)phenoxy]propanamide
CID 43277541
N-[[5-fluoro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 107695788
N-[[5-fluoro-2-(3-fluoropropoxy)phenyl]methyl]propan-1-amine
CID 107695992
4-[4-fluoro-2-(propylaminomethyl)phenoxy]-2-methylbutan-2-ol
CID 107695918
3-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanamide
CID 107696299
2-[4-fluoro-2-(propylaminomethyl)phenoxy]butanamide
CID 107695830
N-[[5-fluoro-2-(methoxymethoxy)phenyl]methyl]propan-1-amine
CID 107695941
2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107695944
N-[[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 107695842
2-[4-fluoro-2-(propylaminomethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 107695945
3-[2-(ethylaminomethyl)phenoxy]propanamide
CID 43277204
3-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63061286

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-2-(propylaminomethyl)phenoxy]propanamide?
The IUPAC name of 3-[4-fluoro-2-(propylaminomethyl)phenoxy]propanamide (CID 107695803) is 3-[4-fluoro-2-(propylaminomethyl)phenoxy]propanamide.
What is the SMILES notation for 3-[4-fluoro-2-(propylaminomethyl)phenoxy]propanamide?
The canonical SMILES for 3-[4-fluoro-2-(propylaminomethyl)phenoxy]propanamide is CCCNCc1cc(F)ccc1OCCC(N)=O.
What is the InChIKey of 3-[4-fluoro-2-(propylaminomethyl)phenoxy]propanamide?
The InChIKey is MHEXUCVUKGIOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-2-6-16-9-10-8-11(14)3-4-12(10)18-7-5-13(15)17/h3-4,8,16H,2,5-7,9H2,1H3,(H2,15,17).
What are the key properties of 3-[4-fluoro-2-(propylaminomethyl)phenoxy]propanamide?
3-[4-fluoro-2-(propylaminomethyl)phenoxy]propanamide has a molecular weight of 254.30 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-2-(propylaminomethyl)phenoxy]propanamide is sourced from PubChem (CID 107695803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).