2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone

C16H22BrNO2 — CID 79067763

IUPAC2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone
SMILESCOc1ccc(Br)cc1CC(=O)C1(N(C)C)CCCC1
InChIInChI=1S/C16H22BrNO2/c1-18(2)16(8-4-5-9-16)15(19)11-12-10-13(17)6-7-14(12)20-3/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyRZQFWCJBGNKRGZ-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.44
Rot. Bonds5

About 2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone

2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone (PubChem CID 79067763) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone
PubChem CID79067763
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone
SMILESCOc1ccc(Br)cc1CC(=O)C1(N(C)C)CCCC1
InChIInChI=1S/C16H22BrNO2/c1-18(2)16(8-4-5-9-16)15(19)11-12-10-13(17)6-7-14(12)20-3/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyRZQFWCJBGNKRGZ-UHFFFAOYSA-N
XLogP3.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone
CID 79067216
2-(4-bromo-2-fluorophenyl)-1-[1-(dimethylamino)cycloheptyl]ethanone
CID 79064667
1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116607388
1-[1-(dimethylamino)cyclopentyl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 79067931
2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79061363
2-(5-bromo-2-methoxyphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749707
2-(5-bromo-2-methoxyphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976834
2-(2,5-difluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanone
CID 79066487
1-(5-bromo-2-methoxyphenyl)-4-(dimethylamino)butan-2-one
CID 115345736
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55192223
1-[1-(diethylamino)cyclopentyl]-2-(2-methoxyphenyl)ethanone
CID 79058681
2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)cycloheptyl]ethanone
CID 79074487

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone (CID 79067763) is 2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone is COc1ccc(Br)cc1CC(=O)C1(N(C)C)CCCC1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone?
The InChIKey is RZQFWCJBGNKRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-18(2)16(8-4-5-9-16)15(19)11-12-10-13(17)6-7-14(12)20-3/h6-7,10H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone?
2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone has a molecular weight of 340.26 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone is sourced from PubChem (CID 79067763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).