2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide

C15H23FN2O2 — CID 107687356

IUPAC2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
SMILESCCCNCc1ccc(OCC(=O)NC(C)C)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-4-7-17-9-12-5-6-14(13(16)8-12)20-10-15(19)18-11(2)3/h5-6,8,11,17H,4,7,9-10H2,1-3H3,(H,18,19)
InChIKeyLGBMGGABOWOFNY-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.23
Rot. Bonds8

About 2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide

2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide (PubChem CID 107687356) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
PubChem CID107687356
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
SMILESCCCNCc1ccc(OCC(=O)NC(C)C)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-4-7-17-9-12-5-6-14(13(16)8-12)20-10-15(19)18-11(2)3/h5-6,8,11,17H,4,7,9-10H2,1-3H3,(H,18,19)
InChIKeyLGBMGGABOWOFNY-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.23
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

2-[2-methoxy-5-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278803
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107686749
2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-propylacetamide
CID 107687590
N-(cyanomethyl)-2-[2-fluoro-4-(propylaminomethyl)phenoxy]acetamide
CID 107687312
2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 107687402
2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107695944
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide
CID 107692678
2-[4-(ethylaminomethyl)-2-fluorophenoxy]-N-(2-methylpropyl)acetamide
CID 107687125
2-[5-(ethylaminomethyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 43278767
2-[2-ethoxy-4-(ethylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 43278166
2-(2-fluoro-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 167446728
1,1,1-trifluoro-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propan-2-ol
CID 107687401

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide (CID 107687356) is 2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide is CCCNCc1ccc(OCC(=O)NC(C)C)c(F)c1.
What is the InChIKey of 2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
The InChIKey is LGBMGGABOWOFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-4-7-17-9-12-5-6-14(13(16)8-12)20-10-15(19)18-11(2)3/h5-6,8,11,17H,4,7,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide has a molecular weight of 282.36 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 107687356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).