1-(4-bromophenyl)-4-[methyl(pentan-3-yl)amino]butan-1-one

C16H24BrNO — CID 43793128

IUPAC1-(4-bromophenyl)-4-[methyl(pentan-3-yl)amino]butan-1-one
SMILESCCC(CC)N(C)CCCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO/c1-4-15(5-2)18(3)12-6-7-16(19)13-8-10-14(17)11-9-13/h8-11,15H,4-7,12H2,1-3H3
InChIKeyVAEUKGWMZKWSGA-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.53
Rot. Bonds8

About 1-(4-bromophenyl)-4-[methyl(pentan-3-yl)amino]butan-1-one

1-(4-bromophenyl)-4-[methyl(pentan-3-yl)amino]butan-1-one (PubChem CID 43793128) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-[methyl(pentan-3-yl)amino]butan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-[methyl(pentan-3-yl)amino]butan-1-one
PubChem CID43793128
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-(4-bromophenyl)-4-[methyl(pentan-3-yl)amino]butan-1-one
SMILESCCC(CC)N(C)CCCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO/c1-4-15(5-2)18(3)12-6-7-16(19)13-8-10-14(17)11-9-13/h8-11,15H,4-7,12H2,1-3H3
InChIKeyVAEUKGWMZKWSGA-UHFFFAOYSA-N
XLogP4.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[4-(4-bromophenyl)-4-oxobutyl]-methylamino]butanenitrile
CID 63222935
4-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one
CID 112662012
1-[4-(4-bromophenyl)phenyl]-4-(dimethylamino)butan-1-one chloride
CID 57388918
4-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)butan-1-one
CID 63567345
1-(4-bromophenyl)-4-[ethyl(2-methylpropyl)amino]butan-1-one
CID 43793005
1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one
CID 43229292
1-(4-bromophenyl)-4-[(2-hydroxy-2-methylpropyl)-methylamino]butan-1-one
CID 79389968
1-(4-bromophenyl)-4-[butyl(2-hydroxyethyl)amino]butan-1-one
CID 60689568
1-(4-bromophenyl)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-one
CID 63565755
1-(4-bromophenyl)pentan-1-one;2-fluoropropane
CID 143849337
4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]phenyl]butan-1-one
CID 15284079
3-[[4-(4-bromophenyl)-4-oxobutyl]-methylamino]-N,2-dimethylpropanamide
CID 106916620

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-[methyl(pentan-3-yl)amino]butan-1-one?
The IUPAC name of 1-(4-bromophenyl)-4-[methyl(pentan-3-yl)amino]butan-1-one (CID 43793128) is 1-(4-bromophenyl)-4-[methyl(pentan-3-yl)amino]butan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-4-[methyl(pentan-3-yl)amino]butan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-4-[methyl(pentan-3-yl)amino]butan-1-one is CCC(CC)N(C)CCCC(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-4-[methyl(pentan-3-yl)amino]butan-1-one?
The InChIKey is VAEUKGWMZKWSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-4-15(5-2)18(3)12-6-7-16(19)13-8-10-14(17)11-9-13/h8-11,15H,4-7,12H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-4-[methyl(pentan-3-yl)amino]butan-1-one?
1-(4-bromophenyl)-4-[methyl(pentan-3-yl)amino]butan-1-one has a molecular weight of 326.28 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-[methyl(pentan-3-yl)amino]butan-1-one is sourced from PubChem (CID 43793128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).