1-[5-bromo-2-[ethyl(pyridin-2-ylmethyl)amino]phenyl]ethanone

C16H17BrN2O — CID 82966670

IUPAC1-[5-bromo-2-[ethyl(pyridin-2-ylmethyl)amino]phenyl]ethanone
SMILESCCN(Cc1ccccn1)c1ccc(Br)cc1C(C)=O
InChIInChI=1S/C16H17BrN2O/c1-3-19(11-14-6-4-5-9-18-14)16-8-7-13(17)10-15(16)12(2)20/h4-10H,3,11H2,1-2H3
InChIKeyIDHWQFUFIWDAJH-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.07
Rot. Bonds5

About 1-[5-bromo-2-[ethyl(pyridin-2-ylmethyl)amino]phenyl]ethanone

1-[5-bromo-2-[ethyl(pyridin-2-ylmethyl)amino]phenyl]ethanone (PubChem CID 82966670) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 1-[5-bromo-2-[ethyl(pyridin-2-ylmethyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-bromo-2-[ethyl(pyridin-2-ylmethyl)amino]phenyl]ethanone
PubChem CID82966670
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name1-[5-bromo-2-[ethyl(pyridin-2-ylmethyl)amino]phenyl]ethanone
SMILESCCN(Cc1ccccn1)c1ccc(Br)cc1C(C)=O
InChIInChI=1S/C16H17BrN2O/c1-3-19(11-14-6-4-5-9-18-14)16-8-7-13(17)10-15(16)12(2)20/h4-10H,3,11H2,1-2H3
InChIKeyIDHWQFUFIWDAJH-UHFFFAOYSA-N
XLogP4.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[ethyl(pyridin-2-ylmethyl)amino]-3-pyridinyl]ethanone
CID 114055599
3-bromo-5-[ethyl(pyridin-2-ylmethyl)amino]benzoic acid
CID 102823195
4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(pyridin-2-ylmethyl)aniline
CID 82953898
1-[5-bromo-2-[butyl(ethyl)amino]phenyl]ethanone
CID 82966709
5-bromo-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarbothioamide
CID 114891368
5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 104531868
3-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 82786091
1-[5-bromo-2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanone
CID 82966661
5-bromo-2-iodo-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 47391163
4-(bromomethyl)-2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)aniline
CID 107084678
2-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-3-fluorobenzenecarboximidamide
CID 107536550
4-bromo-2-(bromomethyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 114061506

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[ethyl(pyridin-2-ylmethyl)amino]phenyl]ethanone?
The IUPAC name of 1-[5-bromo-2-[ethyl(pyridin-2-ylmethyl)amino]phenyl]ethanone (CID 82966670) is 1-[5-bromo-2-[ethyl(pyridin-2-ylmethyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[5-bromo-2-[ethyl(pyridin-2-ylmethyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[5-bromo-2-[ethyl(pyridin-2-ylmethyl)amino]phenyl]ethanone is CCN(Cc1ccccn1)c1ccc(Br)cc1C(C)=O.
What is the InChIKey of 1-[5-bromo-2-[ethyl(pyridin-2-ylmethyl)amino]phenyl]ethanone?
The InChIKey is IDHWQFUFIWDAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-3-19(11-14-6-4-5-9-18-14)16-8-7-13(17)10-15(16)12(2)20/h4-10H,3,11H2,1-2H3.
What are the key properties of 1-[5-bromo-2-[ethyl(pyridin-2-ylmethyl)amino]phenyl]ethanone?
1-[5-bromo-2-[ethyl(pyridin-2-ylmethyl)amino]phenyl]ethanone has a molecular weight of 333.23 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[ethyl(pyridin-2-ylmethyl)amino]phenyl]ethanone is sourced from PubChem (CID 82966670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).