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

C10H15NO3S — CID 112693329

IUPAC2-methoxy-1-(3-methylsulfonylphenyl)ethanamine
SMILESCOCC(N)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C10H15NO3S/c1-14-7-10(11)8-4-3-5-9(6-8)15(2,12)13/h3-6,10H,7,11H2,1-2H3
InChIKeyXFYFHHZRPMVBGI-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.74
Rot. Bonds4

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

2-methoxy-1-(3-methylsulfonylphenyl)ethanamine (PubChem CID 112693329) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-methoxy-1-(3-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-1-(3-methylsulfonylphenyl)ethanamine
PubChem CID112693329
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name2-methoxy-1-(3-methylsulfonylphenyl)ethanamine
SMILESCOCC(N)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C10H15NO3S/c1-14-7-10(11)8-4-3-5-9(6-8)15(2,12)13/h3-6,10H,7,11H2,1-2H3
InChIKeyXFYFHHZRPMVBGI-UHFFFAOYSA-N
XLogP0.74
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylsulfonylphenyl)propan-1-amine
CID 66935160
2-methoxy-1-(3-methylsulfonylphenyl)ethanol
CID 115819101
(2R)-2-amino-2-(3-methylsulfonylphenyl)ethanol;hydrochloride
CID 127264657
2-methoxy-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 105008924
3-amino-3-(3-methylsulfonylphenyl)propanoic acid
CID 117359940
2-methyl-1-(3-methylsulfonylphenyl)butan-1-amine
CID 105017402
3-[(1S)-1-amino-2-methoxyethyl]aniline
CID 55291978
(1R)-2-methoxy-1-(3-propan-2-ylphenyl)ethanamine
CID 55295618
2-(4-methylphenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115788166
1-(3-methylsulfonylphenyl)-4-phenylbutan-1-amine
CID 115849458
2-(3-methylphenyl)-1-(3-methylsulfonylphenyl)ethanamine
CID 115790732
2-cyclopentyl-1-(3-methylsulfonylphenyl)ethanamine
CID 115847281

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(3-methylsulfonylphenyl)ethanamine?
The IUPAC name of 2-methoxy-1-(3-methylsulfonylphenyl)ethanamine (CID 112693329) is 2-methoxy-1-(3-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for 2-methoxy-1-(3-methylsulfonylphenyl)ethanamine?
The canonical SMILES for 2-methoxy-1-(3-methylsulfonylphenyl)ethanamine is COCC(N)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 2-methoxy-1-(3-methylsulfonylphenyl)ethanamine?
The InChIKey is XFYFHHZRPMVBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-14-7-10(11)8-4-3-5-9(6-8)15(2,12)13/h3-6,10H,7,11H2,1-2H3.
What are the key properties of 2-methoxy-1-(3-methylsulfonylphenyl)ethanamine?
2-methoxy-1-(3-methylsulfonylphenyl)ethanamine has a molecular weight of 229.30 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(3-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 112693329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).