1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine

C15H25NO4S — CID 106728377

IUPAC1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine
SMILESCOc1ccc(CC(C)N)c(OCCS(=O)(=O)C(C)C)c1
InChIInChI=1S/C15H25NO4S/c1-11(2)21(17,18)8-7-20-15-10-14(19-4)6-5-13(15)9-12(3)16/h5-6,10-12H,7-9,16H2,1-4H3
InChIKeyCHWAFLJNUSDTRH-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.79
Rot. Bonds8

About 1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine

1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine (PubChem CID 106728377) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine
PubChem CID106728377
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC Name1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine
SMILESCOc1ccc(CC(C)N)c(OCCS(=O)(=O)C(C)C)c1
InChIInChI=1S/C15H25NO4S/c1-11(2)21(17,18)8-7-20-15-10-14(19-4)6-5-13(15)9-12(3)16/h5-6,10-12H,7-9,16H2,1-4H3
InChIKeyCHWAFLJNUSDTRH-UHFFFAOYSA-N
XLogP1.79
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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

3-[2-(2-aminopropyl)-5-methoxyphenoxy]propanamide
CID 61269487
(1S)-1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanol
CID 106726310
1-(2-but-3-ynoxy-4-methoxyphenyl)propan-2-amine
CID 61269126
1-[5-methoxy-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine
CID 106728338
1-[4-methoxy-3-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine
CID 106728370
1-[4-methoxy-2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine
CID 103411540
5-methoxy-2-(2-propan-2-ylsulfonylethoxy)benzoic acid
CID 106721778
1-[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]propan-2-amine
CID 61269127
1-(2-butan-2-yloxy-4-methoxyphenyl)propan-2-amine
CID 61269298
1-(2-butoxy-4-propoxyphenyl)propan-2-amine
CID 54930871
1-[2-(2-methoxyethoxy)-4-propoxyphenyl]propan-2-amine
CID 60906244
1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 62385912

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine (CID 106728377) is 1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine is COc1ccc(CC(C)N)c(OCCS(=O)(=O)C(C)C)c1.
What is the InChIKey of 1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine?
The InChIKey is CHWAFLJNUSDTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-11(2)21(17,18)8-7-20-15-10-14(19-4)6-5-13(15)9-12(3)16/h5-6,10-12H,7-9,16H2,1-4H3.
What are the key properties of 1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine?
1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine has a molecular weight of 315.44 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 106728377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).