2-(2-methoxyphenyl)sulfonyl-1-(2-methylphenyl)ethanamine

C16H19NO3S — CID 64675080

IUPAC2-(2-methoxyphenyl)sulfonyl-1-(2-methylphenyl)ethanamine
SMILESCOc1ccccc1S(=O)(=O)CC(N)c1ccccc1C
InChIInChI=1S/C16H19NO3S/c1-12-7-3-4-8-13(12)14(17)11-21(18,19)16-10-6-5-9-15(16)20-2/h3-10,14H,11,17H2,1-2H3
InChIKeyFKQNNNNKPMRJAL-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.48
Rot. Bonds5

About 2-(2-methoxyphenyl)sulfonyl-1-(2-methylphenyl)ethanamine

2-(2-methoxyphenyl)sulfonyl-1-(2-methylphenyl)ethanamine (PubChem CID 64675080) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)sulfonyl-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)sulfonyl-1-(2-methylphenyl)ethanamine
PubChem CID64675080
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name2-(2-methoxyphenyl)sulfonyl-1-(2-methylphenyl)ethanamine
SMILESCOc1ccccc1S(=O)(=O)CC(N)c1ccccc1C
InChIInChI=1S/C16H19NO3S/c1-12-7-3-4-8-13(12)14(17)11-21(18,19)16-10-6-5-9-15(16)20-2/h3-10,14H,11,17H2,1-2H3
InChIKeyFKQNNNNKPMRJAL-UHFFFAOYSA-N
XLogP2.48
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(2-methoxyphenyl)sulfonyl-1-(4-methylphenyl)ethanone
CID 64637156
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
(1S)-1-(2-methoxyphenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171220001
1-[(E)-but-2-enyl]sulfonyl-2-methoxybenzene
CID 13153174
1-(2-methylphenyl)-2-[(3-methylphenyl)methylsulfonyl]ethanamine
CID 64674060

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)sulfonyl-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(2-methoxyphenyl)sulfonyl-1-(2-methylphenyl)ethanamine (CID 64675080) is 2-(2-methoxyphenyl)sulfonyl-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-methoxyphenyl)sulfonyl-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-methoxyphenyl)sulfonyl-1-(2-methylphenyl)ethanamine is COc1ccccc1S(=O)(=O)CC(N)c1ccccc1C.
What is the InChIKey of 2-(2-methoxyphenyl)sulfonyl-1-(2-methylphenyl)ethanamine?
The InChIKey is FKQNNNNKPMRJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-12-7-3-4-8-13(12)14(17)11-21(18,19)16-10-6-5-9-15(16)20-2/h3-10,14H,11,17H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)sulfonyl-1-(2-methylphenyl)ethanamine?
2-(2-methoxyphenyl)sulfonyl-1-(2-methylphenyl)ethanamine has a molecular weight of 305.40 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)sulfonyl-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 64675080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).