1-(3-Ethoxy-4-methoxy-phenyl)-2-methanesulfonyl-ethylamine

C₁₂H₁₉NO₄SCAS 253168-94-4273.35 g/mol

Open in Covalent MOL file

Ether Primary amine Sulfone

Properties

Molecular formula: C₁₂H₁₉NO₄S
Molar mass: 273.35 g/mol
Exact mass: 273.1035 Da
logP: 1.14Crippen estimate
Polar surface area: 78.6 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

253168-94-4

SMILES

CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N)OC

InChIKey

BXUJVINGXQGNFD-UHFFFAOYSA-N

InChI

InChI=1S/C12H19NO4S/c1-4-17-12-7-9(5-6-11(12)16-2)10(13)8-18(3,14)15/h5-7,10H,4,8,13H2,1-3H3

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Names and synonyms

1 names

3-Ethoxy-4-methoxy-alpha-[(methylsulfonyl)methyl]-benzenemethanamine

Work with 1-(3-Ethoxy-4-methoxy-phenyl)-2-methanesulfonyl-ethylamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine608141-42-0Defined stereoisomer (S)-1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethylamine N-acetyl-L-leucine salt608141-43-1Salt, defined stereoisomer

Similar compounds

1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl) ethanone1450657-28-953 % similar (R)-N-(2-(1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)-1,3-dioxoisoindolin-4-yl)acetamide608141-44-247 % similar Apremilast608141-41-947 % similar 3-Amino-3-(3,4-dimethoxyphenyl)propanoic acid34840-85-245 % similar 3-Amino-3-(3,4-dimethoxyphenyl)propanoic acid34841-09-345 % similar 3-Ethoxy-4-methoxybenzaldehyde1131-52-844 % similar 3-Ethoxy-4-methoxybenzonitrile60758-86-342 % similar 3-Ethoxy-4-methoxybenzoic acid2651-55-042 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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