1-[2-[2-[methyl(pyridin-4-ylmethyl)amino]ethoxy]phenyl]ethanone

C17H20N2O2 — CID 62052597

IUPAC1-[2-[2-[methyl(pyridin-4-ylmethyl)amino]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCN(C)Cc1ccncc1
InChIInChI=1S/C17H20N2O2/c1-14(20)16-5-3-4-6-17(16)21-12-11-19(2)13-15-7-9-18-10-8-15/h3-10H,11-13H2,1-2H3
InChIKeyMKFCQCIGLYHCNQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.80
Rot. Bonds7

About 1-[2-[2-[methyl(pyridin-4-ylmethyl)amino]ethoxy]phenyl]ethanone

1-[2-[2-[methyl(pyridin-4-ylmethyl)amino]ethoxy]phenyl]ethanone (PubChem CID 62052597) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-[2-[methyl(pyridin-4-ylmethyl)amino]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-[methyl(pyridin-4-ylmethyl)amino]ethoxy]phenyl]ethanone
PubChem CID62052597
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[2-[2-[methyl(pyridin-4-ylmethyl)amino]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCN(C)Cc1ccncc1
InChIInChI=1S/C17H20N2O2/c1-14(20)16-5-3-4-6-17(16)21-12-11-19(2)13-15-7-9-18-10-8-15/h3-10H,11-13H2,1-2H3
InChIKeyMKFCQCIGLYHCNQ-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-2-ylmethyl)amino]ethoxy]phenyl]ethanone
CID 62050829
N-[2-(2-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037362
1-[2-[2-[3-hydroxybutyl(methyl)amino]ethoxy]phenyl]ethanone
CID 115665999
1-[2-[2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethoxy]phenyl]ethanone
CID 112812852
1-[2-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanone
CID 55125855
1-(2-methoxyphenyl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 62052794
2-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzenecarbothioamide
CID 43563443
3-(2-acetylphenoxy)-N,N-dimethylpropanamide
CID 54879002
2-(2-methoxyethoxy)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 51101796
1-[2-[methyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]ethanone
CID 103721785
1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone
CID 43233074
1-[2-(2-iodoethoxy)phenyl]ethanone
CID 64788575

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[methyl(pyridin-4-ylmethyl)amino]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-[methyl(pyridin-4-ylmethyl)amino]ethoxy]phenyl]ethanone (CID 62052597) is 1-[2-[2-[methyl(pyridin-4-ylmethyl)amino]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-[methyl(pyridin-4-ylmethyl)amino]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-[methyl(pyridin-4-ylmethyl)amino]ethoxy]phenyl]ethanone is CC(=O)c1ccccc1OCCN(C)Cc1ccncc1.
What is the InChIKey of 1-[2-[2-[methyl(pyridin-4-ylmethyl)amino]ethoxy]phenyl]ethanone?
The InChIKey is MKFCQCIGLYHCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-14(20)16-5-3-4-6-17(16)21-12-11-19(2)13-15-7-9-18-10-8-15/h3-10H,11-13H2,1-2H3.
What are the key properties of 1-[2-[2-[methyl(pyridin-4-ylmethyl)amino]ethoxy]phenyl]ethanone?
1-[2-[2-[methyl(pyridin-4-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-4-ylmethyl)amino]ethoxy]phenyl]ethanone is sourced from PubChem (CID 62052597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).