1-(2-bromo-5-fluorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one

C15H21BrFNO — CID 79061427

IUPAC1-(2-bromo-5-fluorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one
SMILESCCC(CC)(C(=O)Cc1cc(F)ccc1Br)N(C)C
InChIInChI=1S/C15H21BrFNO/c1-5-15(6-2,18(3)4)14(19)10-11-9-12(17)7-8-13(11)16/h7-9H,5-6,10H2,1-4H3
InChIKeyFRQISCJIWWRTIT-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.82
Rot. Bonds6

About 1-(2-bromo-5-fluorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one

1-(2-bromo-5-fluorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one (PubChem CID 79061427) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one
PubChem CID79061427
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one
SMILESCCC(CC)(C(=O)Cc1cc(F)ccc1Br)N(C)C
InChIInChI=1S/C15H21BrFNO/c1-5-15(6-2,18(3)4)14(19)10-11-9-12(17)7-8-13(11)16/h7-9H,5-6,10H2,1-4H3
InChIKeyFRQISCJIWWRTIT-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)acetamide
CID 75430590
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CID 105373295
1-(2-bromo-4-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-one
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1-(2-bromo-4-fluorophenyl)-3-(dimethylamino)-3-methylbutan-2-one
CID 79047983
3-amino-1-(2-bromo-5-fluorophenyl)-3-phenylbutan-2-one
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3-(4-aminophenyl)-1-(2-bromo-5-fluorophenyl)-3-methylbutan-2-one
CID 116598714
tert-butyl 2-(2-bromo-5-fluorophenyl)acetate
CID 176515254
2-[(2-bromo-5-fluorophenyl)methyl-methylamino]ethanol
CID 62020447
2-(2-bromo-5-fluorophenyl)ethyl-methylcarbamic acid
CID 150275747
1-(2-bromo-5-fluorophenyl)-3-chloropropan-2-one
CID 118843600
1-(2-bromo-5-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 105090125
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CID 114968179

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one (CID 79061427) is 1-(2-bromo-5-fluorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one is CCC(CC)(C(=O)Cc1cc(F)ccc1Br)N(C)C.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one?
The InChIKey is FRQISCJIWWRTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-5-15(6-2,18(3)4)14(19)10-11-9-12(17)7-8-13(11)16/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one?
1-(2-bromo-5-fluorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one has a molecular weight of 330.24 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one is sourced from PubChem (CID 79061427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).