3-[2-(2-methoxyphenoxy)ethylsulfonyl]-2-methylpropan-1-amine

C13H21NO4S — CID 81197862

IUPAC3-[2-(2-methoxyphenoxy)ethylsulfonyl]-2-methylpropan-1-amine
SMILESCOc1ccccc1OCCS(=O)(=O)CC(C)CN
InChIInChI=1S/C13H21NO4S/c1-11(9-14)10-19(15,16)8-7-18-13-6-4-3-5-12(13)17-2/h3-6,11H,7-10,14H2,1-2H3
InChIKeyQFAICRXYUAWYSO-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.08
Rot. Bonds8

About 3-[2-(2-methoxyphenoxy)ethylsulfonyl]-2-methylpropan-1-amine

3-[2-(2-methoxyphenoxy)ethylsulfonyl]-2-methylpropan-1-amine (PubChem CID 81197862) has the molecular formula C13H21NO4S and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-[2-(2-methoxyphenoxy)ethylsulfonyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(2-methoxyphenoxy)ethylsulfonyl]-2-methylpropan-1-amine
PubChem CID81197862
Molecular FormulaC13H21NO4S
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name3-[2-(2-methoxyphenoxy)ethylsulfonyl]-2-methylpropan-1-amine
SMILESCOc1ccccc1OCCS(=O)(=O)CC(C)CN
InChIInChI=1S/C13H21NO4S/c1-11(9-14)10-19(15,16)8-7-18-13-6-4-3-5-12(13)17-2/h3-6,11H,7-10,14H2,1-2H3
InChIKeyQFAICRXYUAWYSO-UHFFFAOYSA-N
XLogP1.08
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(2-phenoxyethylsulfonyl)propan-1-amine
CID 81202614
1-[2-(2-ethoxyphenoxy)ethylsulfonyl]propan-2-amine
CID 81189444
1-methoxy-2-(2-pentan-3-ylsulfonylethoxy)benzene
CID 167930009
1-[2-[2-(2-methylbutylsulfonyl)ethoxy]phenyl]ethanone
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N-(3-amino-2-methylpropyl)-2-(2-methoxyphenoxy)acetamide
CID 115267431
3-(2-methoxyphenoxy)propane-1-sulfonyl fluoride
CID 165453369
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
2-[2-(2-methoxyphenoxy)ethylsulfonylmethyl]-3,5-dimethylpyrazine
CID 167786535
4-(2-methoxyphenoxy)-2-methylbutan-1-ol
CID 66060440
3-(2-ethylsulfonylethoxy)-4-methoxyaniline
CID 43807344
2-(2-methoxyphenoxy)ethyl carbamate
CID 54433856
3-(2-methoxyphenyl)-2-methylpropan-1-amine
CID 22024848

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyphenoxy)ethylsulfonyl]-2-methylpropan-1-amine?
The IUPAC name of 3-[2-(2-methoxyphenoxy)ethylsulfonyl]-2-methylpropan-1-amine (CID 81197862) is 3-[2-(2-methoxyphenoxy)ethylsulfonyl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[2-(2-methoxyphenoxy)ethylsulfonyl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[2-(2-methoxyphenoxy)ethylsulfonyl]-2-methylpropan-1-amine is COc1ccccc1OCCS(=O)(=O)CC(C)CN.
What is the InChIKey of 3-[2-(2-methoxyphenoxy)ethylsulfonyl]-2-methylpropan-1-amine?
The InChIKey is QFAICRXYUAWYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S/c1-11(9-14)10-19(15,16)8-7-18-13-6-4-3-5-12(13)17-2/h3-6,11H,7-10,14H2,1-2H3.
What are the key properties of 3-[2-(2-methoxyphenoxy)ethylsulfonyl]-2-methylpropan-1-amine?
3-[2-(2-methoxyphenoxy)ethylsulfonyl]-2-methylpropan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 1.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyphenoxy)ethylsulfonyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81197862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).