2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-1-morpholin-4-ylethanone

C14H19FN2O3 — CID 63368114

IUPAC2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-1-morpholin-4-ylethanone
SMILESC[C@@H](N)c1ccc(F)cc1OCC(=O)N1CCOCC1
InChIInChI=1S/C14H19FN2O3/c1-10(16)12-3-2-11(15)8-13(12)20-9-14(18)17-4-6-19-7-5-17/h2-3,8,10H,4-7,9,16H2,1H3/t10-/m1/s1
InChIKeyYVQCADJYLDIPSZ-SNVBAGLBSA-N
MW282.31 g/mol
LogP1.08
Rot. Bonds4

About 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-1-morpholin-4-ylethanone

2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-1-morpholin-4-ylethanone (PubChem CID 63368114) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-1-morpholin-4-ylethanone
PubChem CID63368114
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-1-morpholin-4-ylethanone
SMILESC[C@@H](N)c1ccc(F)cc1OCC(=O)N1CCOCC1
InChIInChI=1S/C14H19FN2O3/c1-10(16)12-3-2-11(15)8-13(12)20-9-14(18)17-4-6-19-7-5-17/h2-3,8,10H,4-7,9,16H2,1H3/t10-/m1/s1
InChIKeyYVQCADJYLDIPSZ-SNVBAGLBSA-N
XLogP1.08
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
CID 63365946
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 63368165
2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
CID 17190869
2-(2-chloro-4-fluorophenoxy)-1-morpholin-4-ylethanone
CID 17190853
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide
CID 78936103
5-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 82915954
2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
CID 107720138
2-[2-(1-aminoethyl)-5-bromophenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 102946345
2-[2-(2-aminopropyl)-4-bromophenoxy]-1-morpholin-4-ylethanone
CID 60907715
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63064235
2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
CID 78931421
2-[4-chloro-2-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylethanone
CID 62074602

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-1-morpholin-4-ylethanone (CID 63368114) is 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-1-morpholin-4-ylethanone is C[C@@H](N)c1ccc(F)cc1OCC(=O)N1CCOCC1.
What is the InChIKey of 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-1-morpholin-4-ylethanone?
The InChIKey is YVQCADJYLDIPSZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-10(16)12-3-2-11(15)8-13(12)20-9-14(18)17-4-6-19-7-5-17/h2-3,8,10H,4-7,9,16H2,1H3/t10-/m1/s1.
What are the key properties of 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-1-morpholin-4-ylethanone?
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-1-morpholin-4-ylethanone has a molecular weight of 282.31 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 63368114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).