2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butylacetamide

C15H23FN2O2 — CID 107700905

IUPAC2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butylacetamide
SMILESCCCCNC(=O)COc1ccc(F)cc1CC(C)N
InChIInChI=1S/C15H23FN2O2/c1-3-4-7-18-15(19)10-20-14-6-5-13(16)9-12(14)8-11(2)17/h5-6,9,11H,3-4,7-8,10,17H2,1-2H3,(H,18,19)
InChIKeyHHARYXZQZPPGMR-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.01
Rot. Bonds8

About 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butylacetamide

2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butylacetamide (PubChem CID 107700905) 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-butylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butylacetamide
PubChem CID107700905
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butylacetamide
SMILESCCCCNC(=O)COc1ccc(F)cc1CC(C)N
InChIInChI=1S/C15H23FN2O2/c1-3-4-7-18-15(19)10-20-14-6-5-13(16)9-12(14)8-11(2)17/h5-6,9,11H,3-4,7-8,10,17H2,1-2H3,(H,18,19)
InChIKeyHHARYXZQZPPGMR-UHFFFAOYSA-N
XLogP2.01
TPSA64.35 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 ≤ 52.01
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-(2-aminopropyl)-4-methylphenoxy]-N-butylacetamide
CID 63326072
2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-prop-2-enylacetamide
CID 107700877
2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butan-2-ylacetamide
CID 107700699
2-[2-(2-aminobutyl)-4-methylphenoxy]-N-butylacetamide
CID 63326256
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 107698300
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butylacetamide
CID 55190440
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 107698563
1-(2-ethoxy-5-fluorophenyl)propan-2-amine
CID 55254144
2-[2-(aminomethyl)-4-chlorophenoxy]-N-butylacetamide
CID 54956381
2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-(2-methoxyethyl)acetamide
CID 61485901
N-ethyl-2-[2-(ethylaminomethyl)-4-fluorophenoxy]acetamide
CID 107695692

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butylacetamide?
The IUPAC name of 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butylacetamide (CID 107700905) is 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butylacetamide.
What is the SMILES notation for 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butylacetamide?
The canonical SMILES for 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butylacetamide is CCCCNC(=O)COc1ccc(F)cc1CC(C)N.
What is the InChIKey of 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butylacetamide?
The InChIKey is HHARYXZQZPPGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-3-4-7-18-15(19)10-20-14-6-5-13(16)9-12(14)8-11(2)17/h5-6,9,11H,3-4,7-8,10,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butylacetamide?
2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-butylacetamide has a molecular weight of 282.36 g/mol, XLogP of 2.01, 8 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-butylacetamide is sourced from PubChem (CID 107700905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).