3-[2-(1-aminoethyl)-5-fluorophenoxy]-N-cyclopropylpropanamide

C14H19FN2O2 — CID 55148220

IUPAC3-[2-(1-aminoethyl)-5-fluorophenoxy]-N-cyclopropylpropanamide
SMILESCC(N)c1ccc(F)cc1OCCC(=O)NC1CC1
InChIInChI=1S/C14H19FN2O2/c1-9(16)12-5-2-10(15)8-13(12)19-7-6-14(18)17-11-3-4-11/h2,5,8-9,11H,3-4,6-7,16H2,1H3,(H,17,18)
InChIKeyOEOWEUIDFVCNRH-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.89
Rot. Bonds6

About 3-[2-(1-aminoethyl)-5-fluorophenoxy]-N-cyclopropylpropanamide

3-[2-(1-aminoethyl)-5-fluorophenoxy]-N-cyclopropylpropanamide (PubChem CID 55148220) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-[2-(1-aminoethyl)-5-fluorophenoxy]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[2-(1-aminoethyl)-5-fluorophenoxy]-N-cyclopropylpropanamide
PubChem CID55148220
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name3-[2-(1-aminoethyl)-5-fluorophenoxy]-N-cyclopropylpropanamide
SMILESCC(N)c1ccc(F)cc1OCCC(=O)NC1CC1
InChIInChI=1S/C14H19FN2O2/c1-9(16)12-5-2-10(15)8-13(12)19-7-6-14(18)17-11-3-4-11/h2,5,8-9,11H,3-4,6-7,16H2,1H3,(H,17,18)
InChIKeyOEOWEUIDFVCNRH-UHFFFAOYSA-N
XLogP1.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-cyclopentylacetamide
CID 78935687
3-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-propan-2-ylpropanamide
CID 63368106
N-cyclopropyl-2-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63066020
N-cyclohexyl-2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 78934122
N-cyclopentyl-2-[5-fluoro-2-(1-hydroxyethyl)phenoxy]acetamide
CID 63067515
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide
CID 78936103
N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide
CID 64853538
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2-methylpropyl)acetamide
CID 63368195
2-[2-(1-aminoethyl)-5-fluorophenoxy]acetamide
CID 63066360
3-[3-[(1S)-1-aminoethyl]phenoxy]-N-cyclopropylpropanamide
CID 63367378
2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide
CID 63639424
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63064235

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-aminoethyl)-5-fluorophenoxy]-N-cyclopropylpropanamide?
The IUPAC name of 3-[2-(1-aminoethyl)-5-fluorophenoxy]-N-cyclopropylpropanamide (CID 55148220) is 3-[2-(1-aminoethyl)-5-fluorophenoxy]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[2-(1-aminoethyl)-5-fluorophenoxy]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[2-(1-aminoethyl)-5-fluorophenoxy]-N-cyclopropylpropanamide is CC(N)c1ccc(F)cc1OCCC(=O)NC1CC1.
What is the InChIKey of 3-[2-(1-aminoethyl)-5-fluorophenoxy]-N-cyclopropylpropanamide?
The InChIKey is OEOWEUIDFVCNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9(16)12-5-2-10(15)8-13(12)19-7-6-14(18)17-11-3-4-11/h2,5,8-9,11H,3-4,6-7,16H2,1H3,(H,17,18).
What are the key properties of 3-[2-(1-aminoethyl)-5-fluorophenoxy]-N-cyclopropylpropanamide?
3-[2-(1-aminoethyl)-5-fluorophenoxy]-N-cyclopropylpropanamide has a molecular weight of 266.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-aminoethyl)-5-fluorophenoxy]-N-cyclopropylpropanamide is sourced from PubChem (CID 55148220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).