1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-one

C15H21BrFNO — CID 106644859

IUPAC1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-one
SMILESCCN(CC)C(C)(CC)C(=O)c1cccc(Br)c1F
InChIInChI=1S/C15H21BrFNO/c1-5-15(4,18(6-2)7-3)14(19)11-9-8-10-12(16)13(11)17/h8-10H,5-7H2,1-4H3
InChIKeyXBDWLOGUPICNRA-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.28
Rot. Bonds6

About 1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-one

1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-one (PubChem CID 106644859) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-one
PubChem CID106644859
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-one
SMILESCCN(CC)C(C)(CC)C(=O)c1cccc(Br)c1F
InChIInChI=1S/C15H21BrFNO/c1-5-15(4,18(6-2)7-3)14(19)11-9-8-10-12(16)13(11)17/h8-10H,5-7H2,1-4H3
InChIKeyXBDWLOGUPICNRA-UHFFFAOYSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-fluorophenyl)-2-(dimethylamino)-2-ethylbutan-1-one
CID 106644862
2-(diethylamino)-2-methyl-1-naphthalen-1-ylbutan-1-one
CID 79057550
2-(diethylamino)-2-methyl-1-quinolin-8-ylbutan-1-one
CID 81196407
2-(diethylamino)-1-isoquinolin-8-yl-2-methylbutan-1-one
CID 103143332
2-amino-1-(3-bromo-2-fluorophenyl)-2-cyclopropylpropan-1-one
CID 106647121
1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-ol
CID 106645113
2-(azepan-1-yl)-1-(3-bromo-2-fluorophenyl)-2-methylpropan-1-one
CID 106644857
2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-one
CID 79063038
3-bromo-2-fluoro-N,N-dimethylbenzamide
CID 59375042
3-bromo-N-[3-(bromomethyl)pentan-3-yl]-2-fluorobenzamide
CID 114020482
1-(4-amino-3-pyridinyl)-2-(diethylamino)-2-methylbutan-1-one
CID 79063685
3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide
CID 107951815

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-one?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-one (CID 106644859) is 1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-one.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-one?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-one is CCN(CC)C(C)(CC)C(=O)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-one?
The InChIKey is XBDWLOGUPICNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-5-15(4,18(6-2)7-3)14(19)11-9-8-10-12(16)13(11)17/h8-10H,5-7H2,1-4H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-one?
1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-one has a molecular weight of 330.24 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-one is sourced from PubChem (CID 106644859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).