1-(4-bromophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]propan-1-one

C16H24BrNO — CID 55010736

IUPAC1-(4-bromophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]propan-1-one
SMILESCC(C(=O)c1ccc(Br)cc1)N(C)C(C)C(C)(C)C
InChIInChI=1S/C16H24BrNO/c1-11(18(6)12(2)16(3,4)5)15(19)13-7-9-14(17)10-8-13/h7-12H,1-6H3
InChIKeyDAQLOOWHTOTFOZ-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.39
Rot. Bonds4

About 1-(4-bromophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]propan-1-one

1-(4-bromophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]propan-1-one (PubChem CID 55010736) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]propan-1-one
PubChem CID55010736
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-(4-bromophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]propan-1-one
SMILESCC(C(=O)c1ccc(Br)cc1)N(C)C(C)C(C)(C)C
InChIInChI=1S/C16H24BrNO/c1-11(18(6)12(2)16(3,4)5)15(19)13-7-9-14(17)10-8-13/h7-12H,1-6H3
InChIKeyDAQLOOWHTOTFOZ-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propan-1-one
CID 54946475
1-(4-bromophenyl)-2-[(2-methylpropan-2-yl)oxy]propan-1-one
CID 43800354
1-(4-bromophenyl)-2-tert-butylsulfinylpropan-1-one
CID 64640875
1-(4-bromophenyl)-2-(tert-butylamino)propan-1-one
CID 44542509
1-(4-bromophenyl)-2-[2-methylpropyl(propan-2-yl)amino]propan-1-one
CID 63568429
3-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]propanenitrile
CID 62050757
1-(4-bromophenyl)-2,3-dimethyl-3-nitrobutan-1-one
CID 121015009
1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]propan-1-one
CID 63566108
2,2,2-tribromo-1-(4-bromophenyl)ethanone
CID 13089840
3-(4-bromophenyl)-2-methyl-3-oxopropanenitrile
CID 11264891
1-(4-bromophenyl)-2-propan-2-ylsulfanylpropan-1-one
CID 60884961
2-amino-1-(4-bromophenyl)-3-(dimethylamino)propan-1-one
CID 83693969

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]propan-1-one (CID 55010736) is 1-(4-bromophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]propan-1-one is CC(C(=O)c1ccc(Br)cc1)N(C)C(C)C(C)(C)C.
What is the InChIKey of 1-(4-bromophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]propan-1-one?
The InChIKey is DAQLOOWHTOTFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-11(18(6)12(2)16(3,4)5)15(19)13-7-9-14(17)10-8-13/h7-12H,1-6H3.
What are the key properties of 1-(4-bromophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]propan-1-one?
1-(4-bromophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]propan-1-one has a molecular weight of 326.28 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]propan-1-one is sourced from PubChem (CID 55010736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).