2-methoxy-N-methyl-1-(3-methylsulfonylphenyl)ethanamine

C11H17NO3S — CID 105008924

IUPAC2-methoxy-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
SMILESCNC(COC)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C11H17NO3S/c1-12-11(8-15-2)9-5-4-6-10(7-9)16(3,13)14/h4-7,11-12H,8H2,1-3H3
InChIKeyYGQBRXMFSOZQKQ-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.00
Rot. Bonds5

About 2-methoxy-N-methyl-1-(3-methylsulfonylphenyl)ethanamine

2-methoxy-N-methyl-1-(3-methylsulfonylphenyl)ethanamine (PubChem CID 105008924) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-methoxy-N-methyl-1-(3-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
PubChem CID105008924
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-methoxy-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
SMILESCNC(COC)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C11H17NO3S/c1-12-11(8-15-2)9-5-4-6-10(7-9)16(3,13)14/h4-7,11-12H,8H2,1-3H3
InChIKeyYGQBRXMFSOZQKQ-UHFFFAOYSA-N
XLogP1.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-(3-methylsulfonylphenyl)ethanol
CID 115819101
2-methoxy-1-(3-methylsulfonylphenyl)ethanamine
CID 112693329
4-methoxy-N,2-dimethyl-1-(3-methylsulfonylphenyl)butan-1-amine
CID 105044611
N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 112704192
(1R)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 130699454
2-(1H-imidazol-2-yl)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 43487152
N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)butan-1-amine
CID 115782739
[4,4-dimethyl-1-(3-methylsulfonylphenyl)pentyl]hydrazine
CID 105299901
1-(difluoromethyl)-3-methylsulfonylbenzene
CID 154791321
[1-(3-methylsulfonylphenyl)-2-phenylethyl]hydrazine
CID 105283041
N-ethyl-4-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine
CID 115834610
1-(3-cyclobutylphenyl)-2-methoxy-N-methylethanamine
CID 114602794

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-1-(3-methylsulfonylphenyl)ethanamine?
The IUPAC name of 2-methoxy-N-methyl-1-(3-methylsulfonylphenyl)ethanamine (CID 105008924) is 2-methoxy-N-methyl-1-(3-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-methyl-1-(3-methylsulfonylphenyl)ethanamine?
The canonical SMILES for 2-methoxy-N-methyl-1-(3-methylsulfonylphenyl)ethanamine is CNC(COC)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 2-methoxy-N-methyl-1-(3-methylsulfonylphenyl)ethanamine?
The InChIKey is YGQBRXMFSOZQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-12-11(8-15-2)9-5-4-6-10(7-9)16(3,13)14/h4-7,11-12H,8H2,1-3H3.
What are the key properties of 2-methoxy-N-methyl-1-(3-methylsulfonylphenyl)ethanamine?
2-methoxy-N-methyl-1-(3-methylsulfonylphenyl)ethanamine has a molecular weight of 243.33 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-1-(3-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 105008924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).