3-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide

C14H21FN2O3 — CID 107689352

IUPAC3-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1ccc(CNCCOC)cc1F
InChIInChI=1S/C14H21FN2O3/c1-16-14(18)5-7-20-13-4-3-11(9-12(13)15)10-17-6-8-19-2/h3-4,9,17H,5-8,10H2,1-2H3,(H,16,18)
InChIKeyCMDUWGGNPHHTCA-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.08
Rot. Bonds9

About 3-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide

3-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide (PubChem CID 107689352) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is 3-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide
PubChem CID107689352
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name3-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1ccc(CNCCOC)cc1F
InChIInChI=1S/C14H21FN2O3/c1-16-14(18)5-7-20-13-4-3-11(9-12(13)15)10-17-6-8-19-2/h3-4,9,17H,5-8,10H2,1-2H3,(H,16,18)
InChIKeyCMDUWGGNPHHTCA-UHFFFAOYSA-N
XLogP1.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-bromo-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide
CID 63061667
1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 107689136
N-[[3-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]methyl]-2-methoxyethanamine
CID 107689137
N-[(3-fluoro-4-pent-3-ynoxyphenyl)methyl]-2-methoxyethanamine
CID 107689325
N-cyclopropyl-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propanamide
CID 107687315
methyl 3-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 63950518
3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63057144
3-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]-N-methylpropanamide
CID 106916671
N-[[3-fluoro-4-(2-thiophen-3-ylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107689146
2-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]butanamide
CID 107689312
3-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63058251
N-[[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107689166

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide?
The IUPAC name of 3-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide (CID 107689352) is 3-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide.
What is the SMILES notation for 3-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide?
The canonical SMILES for 3-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide is CNC(=O)CCOc1ccc(CNCCOC)cc1F.
What is the InChIKey of 3-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide?
The InChIKey is CMDUWGGNPHHTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-16-14(18)5-7-20-13-4-3-11(9-12(13)15)10-17-6-8-19-2/h3-4,9,17H,5-8,10H2,1-2H3,(H,16,18).
What are the key properties of 3-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide?
3-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide has a molecular weight of 284.33 g/mol, XLogP of 1.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide is sourced from PubChem (CID 107689352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).