2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylpropanamide

C16H23FN2O2 — CID 107701322

IUPAC2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylpropanamide
SMILESCCC(N)Cc1cc(F)ccc1OC(C)C(=O)NC1CC1
InChIInChI=1S/C16H23FN2O2/c1-3-13(18)9-11-8-12(17)4-7-15(11)21-10(2)16(20)19-14-5-6-14/h4,7-8,10,13-14H,3,5-6,9,18H2,1-2H3,(H,19,20)
InChIKeyFKDXTNINCYBEME-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.15
Rot. Bonds7

About 2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylpropanamide

2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylpropanamide (PubChem CID 107701322) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylpropanamide
PubChem CID107701322
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylpropanamide
SMILESCCC(N)Cc1cc(F)ccc1OC(C)C(=O)NC1CC1
InChIInChI=1S/C16H23FN2O2/c1-3-13(18)9-11-8-12(17)4-7-15(11)21-10(2)16(20)19-14-5-6-14/h4,7-8,10,13-14H,3,5-6,9,18H2,1-2H3,(H,19,20)
InChIKeyFKDXTNINCYBEME-UHFFFAOYSA-N
XLogP2.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminobutyl)phenoxy]-N-cyclopropylpropanamide
CID 60907329
2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-methylpropanamide
CID 107701346
methyl 2-[2-(2-aminobutyl)-4-fluorophenoxy]propanoate
CID 107701262
2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylacetamide
CID 107701396
2-[2-(aminomethyl)-4-fluorophenoxy]-N-cyclopentylpropanamide
CID 107694934
N-cyclohexyl-2-[4-fluoro-2-(hydroxymethyl)phenoxy]propanamide
CID 107698395
2-(2-amino-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 62367828
2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylpropanamide
CID 115958256
2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-cyclopropylpropanamide
CID 115958552
2-[2-(2-aminobutyl)-6-bromophenoxy]-N-cyclopropylpropanamide
CID 61392465
ethyl 2-[2-[(cyclopropylamino)methyl]-4-fluorophenoxy]propanoate
CID 107696451
N-cyclopropyl-2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]propanamide
CID 63066220

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylpropanamide?
The IUPAC name of 2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylpropanamide (CID 107701322) is 2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylpropanamide is CCC(N)Cc1cc(F)ccc1OC(C)C(=O)NC1CC1.
What is the InChIKey of 2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylpropanamide?
The InChIKey is FKDXTNINCYBEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-13(18)9-11-8-12(17)4-7-15(11)21-10(2)16(20)19-14-5-6-14/h4,7-8,10,13-14H,3,5-6,9,18H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylpropanamide?
2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylpropanamide has a molecular weight of 294.37 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylpropanamide is sourced from PubChem (CID 107701322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).