1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone

C12H17NO3 — CID 116553800

IUPAC1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccccc1OCCOC
InChIInChI=1S/C12H17NO3/c1-13-9-11(14)10-5-3-4-6-12(10)16-8-7-15-2/h3-6,13H,7-9H2,1-2H3
InChIKeyMMQVXLVHKXGHQT-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.11
Rot. Bonds7

About 1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone

1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone (PubChem CID 116553800) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone
PubChem CID116553800
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccccc1OCCOC
InChIInChI=1S/C12H17NO3/c1-13-9-11(14)10-5-3-4-6-12(10)16-8-7-15-2/h3-6,13H,7-9H2,1-2H3
InChIKeyMMQVXLVHKXGHQT-UHFFFAOYSA-N
XLogP1.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)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

N-methoxy-2-(2-methoxyethoxy)benzamide
CID 47366431
1-[2-(2-methoxyethoxy)phenyl]pentan-1-one
CID 104659358
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
1-[2-(2-methoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105128345
2-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
CID 47366118
1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2-(methylamino)ethanone
CID 117108291
2-(1-methoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 103558943
methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one
CID 103453033
(3,5-dibromophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 107977350
2-(1-aminocyclohexyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 116579069
5-amino-1-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-1-one
CID 116607622

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone?
The IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone (CID 116553800) is 1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone is CNCC(=O)c1ccccc1OCCOC.
What is the InChIKey of 1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone?
The InChIKey is MMQVXLVHKXGHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-13-9-11(14)10-5-3-4-6-12(10)16-8-7-15-2/h3-6,13H,7-9H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone?
1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone has a molecular weight of 223.27 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone is sourced from PubChem (CID 116553800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).