2-(2-amino-6-bromo-4-fluorophenoxy)-1-morpholin-4-ylpropan-1-one

C13H16BrFN2O3 — CID 43379295

IUPAC2-(2-amino-6-bromo-4-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
SMILESCC(Oc1c(N)cc(F)cc1Br)C(=O)N1CCOCC1
InChIInChI=1S/C13H16BrFN2O3/c1-8(13(18)17-2-4-19-5-3-17)20-12-10(14)6-9(15)7-11(12)16/h6-8H,2-5,16H2,1H3
InChIKeyVKPNKVQWWZXYCI-UHFFFAOYSA-N
MW347.18 g/mol
LogP1.80
Rot. Bonds3

About 2-(2-amino-6-bromo-4-fluorophenoxy)-1-morpholin-4-ylpropan-1-one

2-(2-amino-6-bromo-4-fluorophenoxy)-1-morpholin-4-ylpropan-1-one (PubChem CID 43379295) has the molecular formula C13H16BrFN2O3 and a molecular weight of 347.18 g/mol. Its IUPAC name is 2-(2-amino-6-bromo-4-fluorophenoxy)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(2-amino-6-bromo-4-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
PubChem CID43379295
Molecular FormulaC13H16BrFN2O3
Molecular Weight347.18 g/mol
Exact Mass346.03
IUPAC Name2-(2-amino-6-bromo-4-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
SMILESCC(Oc1c(N)cc(F)cc1Br)C(=O)N1CCOCC1
InChIInChI=1S/C13H16BrFN2O3/c1-8(13(18)17-2-4-19-5-3-17)20-12-10(14)6-9(15)7-11(12)16/h6-8H,2-5,16H2,1H3
InChIKeyVKPNKVQWWZXYCI-UHFFFAOYSA-N
XLogP1.80
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-6-bromo-4-fluorophenoxy)-N-butan-2-ylpropanamide
CID 43379290
2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 78767959
2-(2-bromo-4,6-difluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 43347734
3-bromo-4-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzaldehyde
CID 60643504
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 2-amino-5-bromobenzoate
CID 40954545
2-(2-acetyl-5-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 63067650
2-(2-fluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 60627807
5-bromo-2-(1-morpholin-4-yl-1-oxopropan-2-yl)oxybenzoic acid
CID 43084682
(2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 95165980
(2S)-2-(5-bromo-1-methylindazol-3-yl)oxy-1-morpholin-4-ylpropan-1-one
CID 100816524
1-(azepan-1-yl)-2-(2-bromo-4-fluorophenoxy)propan-1-one
CID 43086571
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2-bromo-4-fluorophenoxy)propan-1-one;hydrochloride
CID 119518608

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-bromo-4-fluorophenoxy)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(2-amino-6-bromo-4-fluorophenoxy)-1-morpholin-4-ylpropan-1-one (CID 43379295) is 2-(2-amino-6-bromo-4-fluorophenoxy)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(2-amino-6-bromo-4-fluorophenoxy)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(2-amino-6-bromo-4-fluorophenoxy)-1-morpholin-4-ylpropan-1-one is CC(Oc1c(N)cc(F)cc1Br)C(=O)N1CCOCC1.
What is the InChIKey of 2-(2-amino-6-bromo-4-fluorophenoxy)-1-morpholin-4-ylpropan-1-one?
The InChIKey is VKPNKVQWWZXYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O3/c1-8(13(18)17-2-4-19-5-3-17)20-12-10(14)6-9(15)7-11(12)16/h6-8H,2-5,16H2,1H3.
What are the key properties of 2-(2-amino-6-bromo-4-fluorophenoxy)-1-morpholin-4-ylpropan-1-one?
2-(2-amino-6-bromo-4-fluorophenoxy)-1-morpholin-4-ylpropan-1-one has a molecular weight of 347.18 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-bromo-4-fluorophenoxy)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 43379295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).