1-[3-(methoxymethyl)phenyl]-2-(methylamino)ethanone

C11H15NO2 — CID 117283877

IUPAC1-[3-(methoxymethyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1cccc(COC)c1
InChIInChI=1S/C11H15NO2/c1-12-7-11(13)10-5-3-4-9(6-10)8-14-2/h3-6,12H,7-8H2,1-2H3
InChIKeyNLYHPGQNQXTJAS-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.24
Rot. Bonds5

About 1-[3-(methoxymethyl)phenyl]-2-(methylamino)ethanone

1-[3-(methoxymethyl)phenyl]-2-(methylamino)ethanone (PubChem CID 117283877) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)phenyl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[3-(methoxymethyl)phenyl]-2-(methylamino)ethanone
PubChem CID117283877
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-[3-(methoxymethyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1cccc(COC)c1
InChIInChI=1S/C11H15NO2/c1-12-7-11(13)10-5-3-4-9(6-10)8-14-2/h3-6,12H,7-8H2,1-2H3
InChIKeyNLYHPGQNQXTJAS-UHFFFAOYSA-N
XLogP1.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(methoxymethyl)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

1-[3-(2-methoxyethyl)phenyl]-2-(methylamino)ethanone
CID 117108260
1-[3-(2-fluoroethyl)phenyl]-2-(methylamino)ethanone
CID 117285297
2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 70190872
ethoxy-[3-[3-(methoxymethyl)phenyl]-3-oxopropyl]phosphinic acid
CID 87450652
1-[3-(methoxymethyl)phenyl]ethanone;1-[4-(methoxymethyl)phenyl]ethanone
CID 54297695
3-(methoxymethyl)-N-propylbenzamide
CID 60667721
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17471157
N-[2-(dimethylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide
CID 9481032
3-(methoxymethyl)-N-prop-2-ynylbenzamide
CID 51219689
2,6-difluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]benzamide
CID 56788999
(2S,3R)-3-hydroxy-2-[[3-(methoxymethyl)benzoyl]amino]butanoic acid
CID 104964995
propyl 3-(methoxymethyl)benzoate
CID 78846700

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)phenyl]-2-(methylamino)ethanone?
The IUPAC name of 1-[3-(methoxymethyl)phenyl]-2-(methylamino)ethanone (CID 117283877) is 1-[3-(methoxymethyl)phenyl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[3-(methoxymethyl)phenyl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[3-(methoxymethyl)phenyl]-2-(methylamino)ethanone is CNCC(=O)c1cccc(COC)c1.
What is the InChIKey of 1-[3-(methoxymethyl)phenyl]-2-(methylamino)ethanone?
The InChIKey is NLYHPGQNQXTJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-12-7-11(13)10-5-3-4-9(6-10)8-14-2/h3-6,12H,7-8H2,1-2H3.
What are the key properties of 1-[3-(methoxymethyl)phenyl]-2-(methylamino)ethanone?
1-[3-(methoxymethyl)phenyl]-2-(methylamino)ethanone has a molecular weight of 193.25 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)phenyl]-2-(methylamino)ethanone is sourced from PubChem (CID 117283877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).