1-[2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]phenyl]ethanone

C17H20N2O2 — CID 62050829

IUPAC1-[2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCN(C)Cc1ccccn1
InChIInChI=1S/C17H20N2O2/c1-14(20)16-8-3-4-9-17(16)21-12-11-19(2)13-15-7-5-6-10-18-15/h3-10H,11-13H2,1-2H3
InChIKeySOJXFFZPIGUGGY-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.80
Rot. Bonds7

About 1-[2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]phenyl]ethanone

1-[2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]phenyl]ethanone (PubChem CID 62050829) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]phenyl]ethanone
PubChem CID62050829
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCN(C)Cc1ccccn1
InChIInChI=1S/C17H20N2O2/c1-14(20)16-8-3-4-9-17(16)21-12-11-19(2)13-15-7-5-6-10-18-15/h3-10H,11-13H2,1-2H3
InChIKeySOJXFFZPIGUGGY-UHFFFAOYSA-N
XLogP2.80
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-[methyl(pyridin-4-ylmethyl)amino]ethoxy]phenyl]ethanone
CID 62052597
2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]benzonitrile
CID 43564981
1-[2-[2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethoxy]phenyl]ethanone
CID 112812852
N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037362
1-[2-[2-[3-hydroxybutyl(methyl)amino]ethoxy]phenyl]ethanone
CID 115665999
2-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]aniline
CID 43564653
1-[2-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanone
CID 55125855
3-(2-acetylphenoxy)-N,N-dimethylpropanamide
CID 54879002
6-[methyl(pyridin-2-ylmethyl)amino]hexan-2-one
CID 62051224
1-[2-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethoxy]phenyl]ethanone
CID 115613776
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone
CID 43233074

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]phenyl]ethanone (CID 62050829) is 1-[2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]phenyl]ethanone is CC(=O)c1ccccc1OCCN(C)Cc1ccccn1.
What is the InChIKey of 1-[2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]phenyl]ethanone?
The InChIKey is SOJXFFZPIGUGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-14(20)16-8-3-4-9-17(16)21-12-11-19(2)13-15-7-5-6-10-18-15/h3-10H,11-13H2,1-2H3.
What are the key properties of 1-[2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]phenyl]ethanone?
1-[2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]phenyl]ethanone has a molecular weight of 284.36 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]phenyl]ethanone is sourced from PubChem (CID 62050829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).