1-(4-bromophenyl)-2-(methylamino)pentan-1-one

C12H16BrNO — CID 165361746

IUPAC1-(4-bromophenyl)-2-(methylamino)pentan-1-one
SMILESCCCC(NC)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO/c1-3-4-11(14-2)12(15)9-5-7-10(13)8-6-9/h5-8,11,14H,3-4H2,1-2H3
InChIKeyZRPWWGBQQPHEOF-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.02
Rot. Bonds5

About 1-(4-bromophenyl)-2-(methylamino)pentan-1-one

1-(4-bromophenyl)-2-(methylamino)pentan-1-one (PubChem CID 165361746) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(methylamino)pentan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(methylamino)pentan-1-one
PubChem CID165361746
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name1-(4-bromophenyl)-2-(methylamino)pentan-1-one
SMILESCCCC(NC)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO/c1-3-4-11(14-2)12(15)9-5-7-10(13)8-6-9/h5-8,11,14H,3-4H2,1-2H3
InChIKeyZRPWWGBQQPHEOF-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(methylamino)pentan-1-one?
The IUPAC name of 1-(4-bromophenyl)-2-(methylamino)pentan-1-one (CID 165361746) is 1-(4-bromophenyl)-2-(methylamino)pentan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-2-(methylamino)pentan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-2-(methylamino)pentan-1-one is CCCC(NC)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(methylamino)pentan-1-one?
The InChIKey is ZRPWWGBQQPHEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-3-4-11(14-2)12(15)9-5-7-10(13)8-6-9/h5-8,11,14H,3-4H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2-(methylamino)pentan-1-one?
1-(4-bromophenyl)-2-(methylamino)pentan-1-one has a molecular weight of 270.17 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(methylamino)pentan-1-one is sourced from PubChem (CID 165361746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).