1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine

C12H19NO3S — CID 62786081

IUPAC1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine
SMILESCCOc1ccccc1C(CS(C)(=O)=O)NC
InChIInChI=1S/C12H19NO3S/c1-4-16-12-8-6-5-7-10(12)11(13-2)9-17(3,14)15/h5-8,11,13H,4,9H2,1-3H3
InChIKeyLGSZCCSFBGZRDN-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.39
Rot. Bonds6

About 1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine

1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine (PubChem CID 62786081) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine
PubChem CID62786081
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Name1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine
SMILESCCOc1ccccc1C(CS(C)(=O)=O)NC
InChIInChI=1S/C12H19NO3S/c1-4-16-12-8-6-5-7-10(12)11(13-2)9-17(3,14)15/h5-8,11,13H,4,9H2,1-3H3
InChIKeyLGSZCCSFBGZRDN-UHFFFAOYSA-N
XLogP1.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[2-(2-methylsulfonylethoxy)phenyl]propan-1-amine
CID 54937325
1-(2-ethoxyphenyl)-N-methyldecan-1-amine
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N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine
CID 105035305
1-(2-ethoxyphenyl)-N-methyl-2-propylsulfinylethanamine
CID 64652372
1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine
CID 63717044
1-(2-ethoxyphenyl)-N-methyl-3-phenoxypropan-1-amine
CID 62802881
2-(2,2-difluoroethoxy)-1-(2-ethoxyphenyl)-N-methylethanamine
CID 82005062
1-(2-ethoxyphenyl)-4-methoxy-N,3-dimethylbutan-1-amine
CID 105145062
1-(2-ethoxyphenyl)-N-ethyl-2-methyl-2-methylsulfonylpropan-1-amine
CID 115853596
N-[2-methylsulfonyl-1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine
CID 105018126
1-(2-ethoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 65145486
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine (CID 62786081) is 1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine is CCOc1ccccc1C(CS(C)(=O)=O)NC.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine?
The InChIKey is LGSZCCSFBGZRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-4-16-12-8-6-5-7-10(12)11(13-2)9-17(3,14)15/h5-8,11,13H,4,9H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine?
1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine has a molecular weight of 257.35 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine is sourced from PubChem (CID 62786081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).