1-(2-bromophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one

C16H17BrN2O — CID 62629518

IUPAC1-(2-bromophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
SMILESCN(CCC(=O)c1ccccc1Br)Cc1cccnc1
InChIInChI=1S/C16H17BrN2O/c1-19(12-13-5-4-9-18-11-13)10-8-16(20)14-6-2-3-7-15(14)17/h2-7,9,11H,8,10,12H2,1H3
InChIKeyCHJDBMYZQRCIQY-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.55
Rot. Bonds6

About 1-(2-bromophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one

1-(2-bromophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one (PubChem CID 62629518) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
PubChem CID62629518
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name1-(2-bromophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
SMILESCN(CCC(=O)c1ccccc1Br)Cc1cccnc1
InChIInChI=1S/C16H17BrN2O/c1-19(12-13-5-4-9-18-11-13)10-8-16(20)14-6-2-3-7-15(14)17/h2-7,9,11H,8,10,12H2,1H3
InChIKeyCHJDBMYZQRCIQY-UHFFFAOYSA-N
XLogP3.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62628732
sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 173402275
3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 61286516
1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one
CID 60692668
4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide
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N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
1-(2-bromophenyl)-2-[methyl(2-phenylethyl)amino]ethanone
CID 65488762
2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 47097163
2-bromo-N,3-dimethyl-N-(pyridin-3-ylmethyl)benzamide
CID 103852811
N-methyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 2055754
2-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzenecarbothioamide
CID 43563443
2-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62243618

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one?
The IUPAC name of 1-(2-bromophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one (CID 62629518) is 1-(2-bromophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one.
What is the SMILES notation for 1-(2-bromophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one?
The canonical SMILES for 1-(2-bromophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one is CN(CCC(=O)c1ccccc1Br)Cc1cccnc1.
What is the InChIKey of 1-(2-bromophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one?
The InChIKey is CHJDBMYZQRCIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-19(12-13-5-4-9-18-11-13)10-8-16(20)14-6-2-3-7-15(14)17/h2-7,9,11H,8,10,12H2,1H3.
What are the key properties of 1-(2-bromophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one?
1-(2-bromophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one has a molecular weight of 333.23 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one is sourced from PubChem (CID 62629518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).