1-(4-bromophenyl)-2-[2-methylpropyl(propan-2-yl)amino]propan-1-one

C16H24BrNO — CID 63568429

IUPAC1-(4-bromophenyl)-2-[2-methylpropyl(propan-2-yl)amino]propan-1-one
SMILESCC(C)CN(C(C)C)C(C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO/c1-11(2)10-18(12(3)4)13(5)16(19)14-6-8-15(17)9-7-14/h6-9,11-13H,10H2,1-5H3
InChIKeyQNFKMZKCYNOHBI-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.39
Rot. Bonds6

About 1-(4-bromophenyl)-2-[2-methylpropyl(propan-2-yl)amino]propan-1-one

1-(4-bromophenyl)-2-[2-methylpropyl(propan-2-yl)amino]propan-1-one (PubChem CID 63568429) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[2-methylpropyl(propan-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[2-methylpropyl(propan-2-yl)amino]propan-1-one
PubChem CID63568429
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-(4-bromophenyl)-2-[2-methylpropyl(propan-2-yl)amino]propan-1-one
SMILESCC(C)CN(C(C)C)C(C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO/c1-11(2)10-18(12(3)4)13(5)16(19)14-6-8-15(17)9-7-14/h6-9,11-13H,10H2,1-5H3
InChIKeyQNFKMZKCYNOHBI-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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
(2S)-1-(4-bromophenyl)-2-ethylsulfonylpropan-1-one
CID 124508240
1-(4-bromophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]propan-1-one
CID 55010736
1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]propan-1-one
CID 63566108
1-(4-bromophenyl)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-one
CID 63565755
3-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]propanenitrile
CID 62050757
2-amino-1-(4-bromophenyl)-3-(dimethylamino)propan-1-one
CID 83693969
1-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]propan-1-one
CID 82256468
4-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)butan-1-one
CID 63567345
2-[(4-bromophenyl)methoxy]-1-phenylpropan-1-one
CID 82826900
1-phenyl-2-[propan-2-yl(propyl)amino]propan-1-one
CID 43795382
3-(4-bromo-N-propan-2-ylanilino)-2-methylpropanoic acid
CID 82318715

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[2-methylpropyl(propan-2-yl)amino]propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-2-[2-methylpropyl(propan-2-yl)amino]propan-1-one (CID 63568429) is 1-(4-bromophenyl)-2-[2-methylpropyl(propan-2-yl)amino]propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-2-[2-methylpropyl(propan-2-yl)amino]propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-2-[2-methylpropyl(propan-2-yl)amino]propan-1-one is CC(C)CN(C(C)C)C(C)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-[2-methylpropyl(propan-2-yl)amino]propan-1-one?
The InChIKey is QNFKMZKCYNOHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-11(2)10-18(12(3)4)13(5)16(19)14-6-8-15(17)9-7-14/h6-9,11-13H,10H2,1-5H3.
What are the key properties of 1-(4-bromophenyl)-2-[2-methylpropyl(propan-2-yl)amino]propan-1-one?
1-(4-bromophenyl)-2-[2-methylpropyl(propan-2-yl)amino]propan-1-one has a molecular weight of 326.28 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[2-methylpropyl(propan-2-yl)amino]propan-1-one is sourced from PubChem (CID 63568429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).