2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butan-2-ylacetamide

C15H23FN2O2 — CID 107700699

IUPAC2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1ccc(F)cc1CC(C)N
InChIInChI=1S/C15H23FN2O2/c1-4-11(3)18-15(19)9-20-14-6-5-13(16)8-12(14)7-10(2)17/h5-6,8,10-11H,4,7,9,17H2,1-3H3,(H,18,19)
InChIKeyZOFKIKVODNYCCE-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.01
Rot. Bonds7

About 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butan-2-ylacetamide

2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butan-2-ylacetamide (PubChem CID 107700699) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butan-2-ylacetamide
PubChem CID107700699
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)COc1ccc(F)cc1CC(C)N
InChIInChI=1S/C15H23FN2O2/c1-4-11(3)18-15(19)9-20-14-6-5-13(16)8-12(14)7-10(2)17/h5-6,8,10-11H,4,7,9,17H2,1-3H3,(H,18,19)
InChIKeyZOFKIKVODNYCCE-UHFFFAOYSA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-prop-2-enylacetamide
CID 107700877
2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butylacetamide
CID 107700905
2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide
CID 60908333
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylacetamide
CID 107701396
2-[2-(ethylaminomethyl)-4-fluorophenoxy]-N-pentan-3-ylacetamide
CID 107695704
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
CID 120507855
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-2-ylacetamide
CID 78935876
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
2-[3-(2-aminopropyl)phenoxy]-N-butan-2-ylacetamide
CID 54929359
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-butan-2-ylacetamide
CID 43083056
2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107695944

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butan-2-ylacetamide?
The IUPAC name of 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butan-2-ylacetamide (CID 107700699) is 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butan-2-ylacetamide is CCC(C)NC(=O)COc1ccc(F)cc1CC(C)N.
What is the InChIKey of 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butan-2-ylacetamide?
The InChIKey is ZOFKIKVODNYCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-4-11(3)18-15(19)9-20-14-6-5-13(16)8-12(14)7-10(2)17/h5-6,8,10-11H,4,7,9,17H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butan-2-ylacetamide?
2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butan-2-ylacetamide has a molecular weight of 282.36 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butan-2-ylacetamide is sourced from PubChem (CID 107700699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).