1-(2-bromo-4-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one

C12H15BrFNO2 — CID 116591470

IUPAC1-(2-bromo-4-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one
SMILESCOCCNCC(=O)Cc1ccc(F)cc1Br
InChIInChI=1S/C12H15BrFNO2/c1-17-5-4-15-8-11(16)6-9-2-3-10(14)7-12(9)13/h2-3,7,15H,4-6,8H2,1H3
InChIKeyGZOYFAJGHFXLKE-UHFFFAOYSA-N
MW304.16 g/mol
LogP1.94
Rot. Bonds7

About 1-(2-bromo-4-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one

1-(2-bromo-4-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one (PubChem CID 116591470) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one
PubChem CID116591470
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name1-(2-bromo-4-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one
SMILESCOCCNCC(=O)Cc1ccc(F)cc1Br
InChIInChI=1S/C12H15BrFNO2/c1-17-5-4-15-8-11(16)6-9-2-3-10(14)7-12(9)13/h2-3,7,15H,4-6,8H2,1H3
InChIKeyGZOYFAJGHFXLKE-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 114863460
4-(2-bromo-4-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 64503065
1-(3-bromo-2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 106272689
5-(2-bromo-4-fluorophenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 79598285
1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 114935457
1-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)ethanone
CID 105396519
2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 104564389
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783
methyl 3-(2-bromo-4-fluorophenyl)propanoate
CID 12047938
1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 116591542
1-(2,3-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 107311411
N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 115738296

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one (CID 116591470) is 1-(2-bromo-4-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one is COCCNCC(=O)Cc1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one?
The InChIKey is GZOYFAJGHFXLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-17-5-4-15-8-11(16)6-9-2-3-10(14)7-12(9)13/h2-3,7,15H,4-6,8H2,1H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one?
1-(2-bromo-4-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one has a molecular weight of 304.16 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one is sourced from PubChem (CID 116591470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).