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

C17H26BrNO — CID 63565755

IUPAC1-(4-bromophenyl)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-one
SMILESCC(C)CN(CCCC(=O)c1ccc(Br)cc1)C(C)C
InChIInChI=1S/C17H26BrNO/c1-13(2)12-19(14(3)4)11-5-6-17(20)15-7-9-16(18)10-8-15/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyGUWVDNFHKZNIIS-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.78
Rot. Bonds8

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

1-(4-bromophenyl)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-one (PubChem CID 63565755) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-one
PubChem CID63565755
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name1-(4-bromophenyl)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-one
SMILESCC(C)CN(CCCC(=O)c1ccc(Br)cc1)C(C)C
InChIInChI=1S/C17H26BrNO/c1-13(2)12-19(14(3)4)11-5-6-17(20)15-7-9-16(18)10-8-15/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKeyGUWVDNFHKZNIIS-UHFFFAOYSA-N
XLogP4.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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)-3-[pentyl(propan-2-yl)amino]propan-1-one
CID 63484274
1-(4-methylphenyl)-3-[2-methylpropyl(propan-2-yl)amino]propan-1-one
CID 62613655
3-[[4-(4-bromophenyl)-4-oxobutyl]-methylamino]butanenitrile
CID 63222935
3-[[4-(4-bromophenyl)-4-oxobutyl]-methylamino]-N,2-dimethylpropanamide
CID 106916620
1-(4-bromophenyl)-4-[methyl(pentan-3-yl)amino]butan-1-one
CID 43793128
1-[4-(4-bromophenyl)phenyl]-4-(dimethylamino)butan-1-one chloride
CID 57388918
1-(4-bromophenyl)pentan-1-one;2-fluoropropane
CID 143849337
1-(4-fluorophenyl)-4-[methyl(2-methylpropyl)amino]butan-1-one
CID 43792985
1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one
CID 43229292
1-(4-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one
CID 62031112

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-one?
The IUPAC name of 1-(4-bromophenyl)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-one (CID 63565755) is 1-(4-bromophenyl)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-one is CC(C)CN(CCCC(=O)c1ccc(Br)cc1)C(C)C.
What is the InChIKey of 1-(4-bromophenyl)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-one?
The InChIKey is GUWVDNFHKZNIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-13(2)12-19(14(3)4)11-5-6-17(20)15-7-9-16(18)10-8-15/h7-10,13-14H,5-6,11-12H2,1-4H3.
What are the key properties of 1-(4-bromophenyl)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-one?
1-(4-bromophenyl)-4-[2-methylpropyl(propan-2-yl)amino]butan-1-one has a molecular weight of 340.31 g/mol, XLogP of 4.78, 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-[2-methylpropyl(propan-2-yl)amino]butan-1-one is sourced from PubChem (CID 63565755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).