2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-cyclopentylacetamide

C15H21FN2O2 — CID 78935687

IUPAC2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-cyclopentylacetamide
SMILESC[C@H](N)c1ccc(F)cc1OCC(=O)NC1CCCC1
InChIInChI=1S/C15H21FN2O2/c1-10(17)13-7-6-11(16)8-14(13)20-9-15(19)18-12-4-2-3-5-12/h6-8,10,12H,2-5,9,17H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyWTDZJBLTZNFEFV-JTQLQIEISA-N
MW280.34 g/mol
LogP2.28
Rot. Bonds5

About 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-cyclopentylacetamide

2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-cyclopentylacetamide (PubChem CID 78935687) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-cyclopentylacetamide
PubChem CID78935687
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-cyclopentylacetamide
SMILESC[C@H](N)c1ccc(F)cc1OCC(=O)NC1CCCC1
InChIInChI=1S/C15H21FN2O2/c1-10(17)13-7-6-11(16)8-14(13)20-9-15(19)18-12-4-2-3-5-12/h6-8,10,12H,2-5,9,17H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyWTDZJBLTZNFEFV-JTQLQIEISA-N
XLogP2.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-(1-aminoethyl)phenoxy]-N-cyclohexylacetamide
CID 43186044
3-[2-(1-aminoethyl)-5-fluorophenoxy]-N-cyclopropylpropanamide
CID 55148220
N-cyclopropyl-2-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63066020
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide
CID 78936103
2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(oxan-4-yl)acetamide
CID 63639424
2-(2-amino-4-fluorophenoxy)-N-cyclohexylacetamide
CID 55068862
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2-methylpropyl)acetamide
CID 63368195
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63064235
N-cyclohexyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 94840112
2-(2-bromo-5-fluorophenoxy)-N-cyclopentylacetamide
CID 81495219

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-cyclopentylacetamide?
The IUPAC name of 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-cyclopentylacetamide (CID 78935687) is 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-cyclopentylacetamide?
The canonical SMILES for 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-cyclopentylacetamide is C[C@H](N)c1ccc(F)cc1OCC(=O)NC1CCCC1.
What is the InChIKey of 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-cyclopentylacetamide?
The InChIKey is WTDZJBLTZNFEFV-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-10(17)13-7-6-11(16)8-14(13)20-9-15(19)18-12-4-2-3-5-12/h6-8,10,12H,2-5,9,17H2,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-cyclopentylacetamide?
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-cyclopentylacetamide has a molecular weight of 280.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-cyclopentylacetamide is sourced from PubChem (CID 78935687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).