2-(5-bromo-3-pyridinyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone

C16H17BrN2O — CID 116613356

IUPAC2-(5-bromo-3-pyridinyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
SMILESCNCCc1ccccc1C(=O)Cc1cncc(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-18-7-6-13-4-2-3-5-15(13)16(20)9-12-8-14(17)11-19-10-12/h2-5,8,10-11,18H,6-7,9H2,1H3
InChIKeyMIFULCQGIWONGF-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.03
Rot. Bonds6

About 2-(5-bromo-3-pyridinyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone

2-(5-bromo-3-pyridinyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone (PubChem CID 116613356) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
PubChem CID116613356
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name2-(5-bromo-3-pyridinyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
SMILESCNCCc1ccccc1C(=O)Cc1cncc(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-18-7-6-13-4-2-3-5-15(13)16(20)9-12-8-14(17)11-19-10-12/h2-5,8,10-11,18H,6-7,9H2,1H3
InChIKeyMIFULCQGIWONGF-UHFFFAOYSA-N
XLogP3.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-3-pyridinyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-amino-2-methylphenyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116604481
2-(4-fluorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613196
2-(5-bromo-3-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanone
CID 104799338
2-(5-bromo-3-pyridinyl)-1-quinoxalin-5-ylethanone
CID 105128928
2-(2-chlorophenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613287
2-(2,5-dimethylphenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613314
2-[2-(methylamino)ethyl]benzamide
CID 69094527
2-(5-bromo-3-pyridinyl)-1-(4-methoxyphenyl)ethanone
CID 112693818
(5-bromo-2-fluorophenyl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 116613281
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
CID 105128880
3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
CID 116613183
1-[2-[2-(methylamino)ethyl]phenyl]but-3-yn-1-one
CID 116613135

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone (CID 116613356) is 2-(5-bromo-3-pyridinyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone is CNCCc1ccccc1C(=O)Cc1cncc(Br)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone?
The InChIKey is MIFULCQGIWONGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-18-7-6-13-4-2-3-5-15(13)16(20)9-12-8-14(17)11-19-10-12/h2-5,8,10-11,18H,6-7,9H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone?
2-(5-bromo-3-pyridinyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone has a molecular weight of 333.23 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone is sourced from PubChem (CID 116613356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).