1-[5-methoxy-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine

C15H25NO4S — CID 106728338

IUPAC1-[5-methoxy-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine
SMILESCCCS(=O)(=O)CCOc1ccc(OC)cc1CC(C)N
InChIInChI=1S/C15H25NO4S/c1-4-8-21(17,18)9-7-20-15-6-5-14(19-3)11-13(15)10-12(2)16/h5-6,11-12H,4,7-10,16H2,1-3H3
InChIKeyNHGRIPOOPRQYFW-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.79
Rot. Bonds9

About 1-[5-methoxy-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine

1-[5-methoxy-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine (PubChem CID 106728338) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[5-methoxy-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-methoxy-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine
PubChem CID106728338
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC Name1-[5-methoxy-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine
SMILESCCCS(=O)(=O)CCOc1ccc(OC)cc1CC(C)N
InChIInChI=1S/C15H25NO4S/c1-4-8-21(17,18)9-7-20-15-6-5-14(19-3)11-13(15)10-12(2)16/h5-6,11-12H,4,7-10,16H2,1-3H3
InChIKeyNHGRIPOOPRQYFW-UHFFFAOYSA-N
XLogP1.79
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-bromo-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine
CID 106728351
(1R)-1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanamine
CID 106722435
1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine
CID 106728377
[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]methanol
CID 106726179
1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine
CID 65369886
3-[2-(2-aminopropyl)-4-methoxyphenoxy]-N-ethylpropanamide
CID 62325762
1-[4-methoxy-2-(2-propylsulfonylethoxy)phenyl]ethanone
CID 106725008
1-(5-methoxy-2-pent-4-ynoxyphenyl)propan-2-amine
CID 113374413
1-(5-methoxy-2-pentan-2-yloxyphenyl)propan-2-amine
CID 107885471
methyl 2-[2-(2-aminopropyl)-4-methoxyphenoxy]acetate
CID 54930741
1-[5-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]propan-2-amine
CID 60905233
2-(bromomethyl)-4-methoxy-1-(2-methylsulfonylethoxy)benzene
CID 61057805

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[5-methoxy-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine (CID 106728338) is 1-[5-methoxy-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-methoxy-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[5-methoxy-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine is CCCS(=O)(=O)CCOc1ccc(OC)cc1CC(C)N.
What is the InChIKey of 1-[5-methoxy-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine?
The InChIKey is NHGRIPOOPRQYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-4-8-21(17,18)9-7-20-15-6-5-14(19-3)11-13(15)10-12(2)16/h5-6,11-12H,4,7-10,16H2,1-3H3.
What are the key properties of 1-[5-methoxy-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine?
1-[5-methoxy-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine has a molecular weight of 315.44 g/mol, XLogP of 1.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 106728338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).