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

C14H22BrNO3S — CID 106728351

IUPAC1-[5-bromo-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine
SMILESCCCS(=O)(=O)CCOc1ccc(Br)cc1CC(C)N
InChIInChI=1S/C14H22BrNO3S/c1-3-7-20(17,18)8-6-19-14-5-4-13(15)10-12(14)9-11(2)16/h4-5,10-11H,3,6-9,16H2,1-2H3
InChIKeyXCSCPIRHRDQECU-UHFFFAOYSA-N
MW364.31 g/mol
LogP2.54
Rot. Bonds8

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

1-[5-bromo-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine (PubChem CID 106728351) has the molecular formula C14H22BrNO3S and a molecular weight of 364.31 g/mol. Its IUPAC name is 1-[5-bromo-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-bromo-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine
PubChem CID106728351
Molecular FormulaC14H22BrNO3S
Molecular Weight364.31 g/mol
Exact Mass363.05
IUPAC Name1-[5-bromo-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine
SMILESCCCS(=O)(=O)CCOc1ccc(Br)cc1CC(C)N
InChIInChI=1S/C14H22BrNO3S/c1-3-7-20(17,18)8-6-19-14-5-4-13(15)10-12(14)9-11(2)16/h4-5,10-11H,3,6-9,16H2,1-2H3
InChIKeyXCSCPIRHRDQECU-UHFFFAOYSA-N
XLogP2.54
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-methoxy-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine
CID 106728338
1-[5-bromo-3-methyl-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine
CID 106728477
1-(5-bromo-2-octoxyphenyl)propan-2-amine
CID 63421163
1-[5-bromo-2-(2-propylsulfonylethoxy)phenyl]ethanol
CID 106726198
5-bromo-2-(2-propylsulfonylethoxy)benzenesulfonamide
CID 106726866
1-[5-bromo-2-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64566147
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1-[5-bromo-2-(ethoxymethoxy)phenyl]propan-2-amine
CID 65369215
1-(5-bromo-2-prop-2-enoxyphenyl)propan-2-amine
CID 60907452
1-(5-bromo-2-pentoxyphenyl)butan-2-amine
CID 55197493
1-(5-bromo-2-prop-2-ynoxyphenyl)propan-2-amine
CID 60907451
1-(5-bromo-2-hexoxyphenyl)butan-2-amine
CID 63421563

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[5-bromo-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine (CID 106728351) is 1-[5-bromo-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-bromo-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[5-bromo-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine is CCCS(=O)(=O)CCOc1ccc(Br)cc1CC(C)N.
What is the InChIKey of 1-[5-bromo-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine?
The InChIKey is XCSCPIRHRDQECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO3S/c1-3-7-20(17,18)8-6-19-14-5-4-13(15)10-12(14)9-11(2)16/h4-5,10-11H,3,6-9,16H2,1-2H3.
What are the key properties of 1-[5-bromo-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine?
1-[5-bromo-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine has a molecular weight of 364.31 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(2-propylsulfonylethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 106728351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).