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

C15H21FN2O2 — CID 107701396

IUPAC2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylacetamide
SMILESCCC(N)Cc1cc(F)ccc1OCC(=O)NC1CC1
InChIInChI=1S/C15H21FN2O2/c1-2-12(17)8-10-7-11(16)3-6-14(10)20-9-15(19)18-13-4-5-13/h3,6-7,12-13H,2,4-5,8-9,17H2,1H3,(H,18,19)
InChIKeyCNVJQIDUSCHIDI-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.76
Rot. Bonds7

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

2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylacetamide (PubChem CID 107701396) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylacetamide
PubChem CID107701396
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylacetamide
SMILESCCC(N)Cc1cc(F)ccc1OCC(=O)NC1CC1
InChIInChI=1S/C15H21FN2O2/c1-2-12(17)8-10-7-11(16)3-6-14(10)20-9-15(19)18-13-4-5-13/h3,6-7,12-13H,2,4-5,8-9,17H2,1H3,(H,18,19)
InChIKeyCNVJQIDUSCHIDI-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylpropanamide
CID 107701322
2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-cyclopropylacetamide
CID 60908010
3-[2-(2-aminobutyl)-4-methylphenoxy]-N-cyclopropylpropanamide
CID 63326041
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-cyclopropylacetamide
CID 63326335
2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-cyclopropylacetamide
CID 54929439
2-[2-(2-aminopropyl)-4-methoxyphenoxy]-N-cyclopropylacetamide
CID 60906462
2-(2-amino-4-fluorophenoxy)-N-cyclohexylacetamide
CID 55068862
2-[2-(2-aminobutyl)-6-methylphenoxy]-N-cyclopropylacetamide
CID 115958175
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-cyclopentylacetamide
CID 63326156
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-cyclopentylacetamide
CID 78935687
2-[5-(2-aminopropyl)-2-methoxyphenoxy]-N-cyclopropylacetamide
CID 60908147
2-[2-(2-aminobutyl)-4-bromophenoxy]-N-(cyclopropylmethyl)acetamide
CID 60907106

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylacetamide?
The IUPAC name of 2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylacetamide (CID 107701396) is 2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylacetamide?
The canonical SMILES for 2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylacetamide is CCC(N)Cc1cc(F)ccc1OCC(=O)NC1CC1.
What is the InChIKey of 2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylacetamide?
The InChIKey is CNVJQIDUSCHIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-2-12(17)8-10-7-11(16)3-6-14(10)20-9-15(19)18-13-4-5-13/h3,6-7,12-13H,2,4-5,8-9,17H2,1H3,(H,18,19).
What are the key properties of 2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylacetamide?
2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylacetamide has a molecular weight of 280.34 g/mol, XLogP of 1.76, 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-cyclopropylacetamide is sourced from PubChem (CID 107701396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).