1-(2,5-dimethoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanamine

C13H21NO5S — CID 64647107

IUPAC1-(2,5-dimethoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanamine
SMILESCOCCS(=O)(=O)CC(N)c1cc(OC)ccc1OC
InChIInChI=1S/C13H21NO5S/c1-17-6-7-20(15,16)9-12(14)11-8-10(18-2)4-5-13(11)19-3/h4-5,8,12H,6-7,9,14H2,1-3H3
InChIKeyJFGQLCCEYQOFJB-UHFFFAOYSA-N
MW303.38 g/mol
LogP0.76
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanamine

1-(2,5-dimethoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanamine (PubChem CID 64647107) has the molecular formula C13H21NO5S and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanamine
PubChem CID64647107
Molecular FormulaC13H21NO5S
Molecular Weight303.38 g/mol
Exact Mass303.11
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanamine
SMILESCOCCS(=O)(=O)CC(N)c1cc(OC)ccc1OC
InChIInChI=1S/C13H21NO5S/c1-17-6-7-20(15,16)9-12(14)11-8-10(18-2)4-5-13(11)19-3/h4-5,8,12H,6-7,9,14H2,1-3H3
InChIKeyJFGQLCCEYQOFJB-UHFFFAOYSA-N
XLogP0.76
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-butylsulfonyl-1-(2,5-dimethoxyphenyl)ethanamine
CID 64674550
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010
1-(2-methoxy-5-methylphenyl)-2-(3-methoxypropylsulfonyl)ethanamine
CID 64674070
1-(2-methoxy-5-methylphenyl)-2-pentylsulfonylethanamine
CID 107758540
1-(2,4-dimethoxyphenyl)-2-(2-methylbutylsulfonyl)ethanamine
CID 107759657
methyl 3-[2-amino-2-(2-methoxy-5-methylphenyl)ethyl]sulfonylpropanoate
CID 64675155
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932428
1-(2,5-dimethoxyphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044751
2-(2-methoxyethylsulfonyl)-1-(4-propoxyphenyl)ethanamine
CID 64647290
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764
2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid
CID 61327016

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanamine (CID 64647107) is 1-(2,5-dimethoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanamine is COCCS(=O)(=O)CC(N)c1cc(OC)ccc1OC.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanamine?
The InChIKey is JFGQLCCEYQOFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5S/c1-17-6-7-20(15,16)9-12(14)11-8-10(18-2)4-5-13(11)19-3/h4-5,8,12H,6-7,9,14H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanamine?
1-(2,5-dimethoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanamine has a molecular weight of 303.38 g/mol, XLogP of 0.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(2-methoxyethylsulfonyl)ethanamine is sourced from PubChem (CID 64647107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).