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

C12H17NO2 — CID 117108260

IUPAC1-[3-(2-methoxyethyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1cccc(CCOC)c1
InChIInChI=1S/C12H17NO2/c1-13-9-12(14)11-5-3-4-10(8-11)6-7-15-2/h3-5,8,13H,6-7,9H2,1-2H3
InChIKeyIMMZXPLBLWCZEK-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.28
Rot. Bonds6

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

1-[3-(2-methoxyethyl)phenyl]-2-(methylamino)ethanone (PubChem CID 117108260) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[3-(2-methoxyethyl)phenyl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[3-(2-methoxyethyl)phenyl]-2-(methylamino)ethanone
PubChem CID117108260
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-[3-(2-methoxyethyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1cccc(CCOC)c1
InChIInChI=1S/C12H17NO2/c1-13-9-12(14)11-5-3-4-10(8-11)6-7-15-2/h3-5,8,13H,6-7,9H2,1-2H3
InChIKeyIMMZXPLBLWCZEK-UHFFFAOYSA-N
XLogP1.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methoxymethyl)phenyl]-2-(methylamino)ethanone
CID 117283877
1-[3-(2-fluoroethyl)phenyl]-2-(methylamino)ethanone
CID 117285297
[3-(2-methoxyethyl)phenyl]-phenylmethanone
CID 91307514
methyl 3-[2-(methylamino)ethyl]benzoate
CID 59419935
3-(chloromethyl)-N-(2-methoxyethoxy)benzamide
CID 82715225
2-(methylamino)-1-(3-phenylmethoxyphenyl)ethanone;hydrochloride
CID 70190872
2-(methylamino)-1-(3-phenylphenyl)ethanone
CID 117324006
N-hydroxy-3-[3-(2-methoxyethyl)phenyl]propanamide
CID 142811758
[3-[2-(methylamino)acetyl]phenyl] 2-phenylacetate
CID 10401562
2-[3-(2-methoxyethyl)phenyl]acetyl chloride
CID 175188653
methyl 2-hydroxy-2-[3-(2-methoxyethyl)phenyl]acetate
CID 117108625
3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one
CID 116543141

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethyl)phenyl]-2-(methylamino)ethanone?
The IUPAC name of 1-[3-(2-methoxyethyl)phenyl]-2-(methylamino)ethanone (CID 117108260) is 1-[3-(2-methoxyethyl)phenyl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[3-(2-methoxyethyl)phenyl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[3-(2-methoxyethyl)phenyl]-2-(methylamino)ethanone is CNCC(=O)c1cccc(CCOC)c1.
What is the InChIKey of 1-[3-(2-methoxyethyl)phenyl]-2-(methylamino)ethanone?
The InChIKey is IMMZXPLBLWCZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-13-9-12(14)11-5-3-4-10(8-11)6-7-15-2/h3-5,8,13H,6-7,9H2,1-2H3.
What are the key properties of 1-[3-(2-methoxyethyl)phenyl]-2-(methylamino)ethanone?
1-[3-(2-methoxyethyl)phenyl]-2-(methylamino)ethanone has a molecular weight of 207.27 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethyl)phenyl]-2-(methylamino)ethanone is sourced from PubChem (CID 117108260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).