CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N)OC
CAS: 253168-94-4
Nombre: 1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethanamine
SMILES: CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N)OC

Molecular Processing

Molecular formula
C12H19NO4S
Molecular weight
273.35
Exact mass
273.1035
XLogP
1.14
TPSA
78.62
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
70.8

Supplementary Information

InChIKey: BXUJVINGXQGNFD-UHFFFAOYSA-N
Sinónimos
253168-94-41-(3-Ethoxy-4-methoxy-phenyl)-2-methanesulfonyl-ethylamineRefChem:423754807-312-31-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine3-Ethoxy-4-Methoxy-alpha-[(Methylsulfonyl)Methyl]-benzeneMethanaMineMFCD276652071-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethan-1-amine1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethanamine2-(3-ethoxy-4-methoxyphenyl)-1-(methylsulfonyl)eth-2-ylamineBenzenemethanamine, 3-ethoxy-4-methoxy-a-[(methylsulfonyl)methyl]-C12H19NO4S1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethylamine1-(3-ethoxy-4-methoxyphenyl)-2-methanesulfonylethan-1-amine1-(3-Ethoxy-4-methoxy-phenyl)-2-methanesulfonylethylamine (~10% inorganics)ApreMilast interMediateApremilast impurity 143-Ethoxy-4-methoxy-alpha-[(methylsulfonyl)methyl]benzenemethanamine;1-(3-Ethoxy-4-methoxyphenyl)-2-methylsulfonylethylamine; Apremilast EP Impurity HY2KMW3Z55ESCHEMBL302947SCHEMBL296797111-(3-ethoxy-4-methoxy-phenyl)-2-methylsulfonyl-ethanamineBXUJVINGXQGNFD-UHFFFAOYSA-NCS-M2886AKOS024255715FK-0724PB43142AC-30407DA-31197SY113282
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