1-[4-(2-propylsulfonylethoxy)phenyl]butan-2-amine

C15H25NO3S — CID 106728342

IUPAC1-[4-(2-propylsulfonylethoxy)phenyl]butan-2-amine
SMILESCCCS(=O)(=O)CCOc1ccc(CC(N)CC)cc1
InChIInChI=1S/C15H25NO3S/c1-3-10-20(17,18)11-9-19-15-7-5-13(6-8-15)12-14(16)4-2/h5-8,14H,3-4,9-12,16H2,1-2H3
InChIKeyOJUGKTHSBDWEAC-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.17
Rot. Bonds9

About 1-[4-(2-propylsulfonylethoxy)phenyl]butan-2-amine

1-[4-(2-propylsulfonylethoxy)phenyl]butan-2-amine (PubChem CID 106728342) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-[4-(2-propylsulfonylethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(2-propylsulfonylethoxy)phenyl]butan-2-amine
PubChem CID106728342
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name1-[4-(2-propylsulfonylethoxy)phenyl]butan-2-amine
SMILESCCCS(=O)(=O)CCOc1ccc(CC(N)CC)cc1
InChIInChI=1S/C15H25NO3S/c1-3-10-20(17,18)11-9-19-15-7-5-13(6-8-15)12-14(16)4-2/h5-8,14H,3-4,9-12,16H2,1-2H3
InChIKeyOJUGKTHSBDWEAC-UHFFFAOYSA-N
XLogP2.17
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-ethylsulfonylethoxy)phenyl]propan-2-amine
CID 54930795
N-ethyl-1-[4-(2-propylsulfonylethoxy)phenyl]propan-2-amine
CID 106722425
1-(bromomethyl)-4-(2-propylsulfonylethoxy)benzene
CID 106726492
1-(chloromethyl)-4-(2-propylsulfonylethoxy)benzene
CID 106726467
1-(4-ethoxyphenyl)butan-2-amine
CID 43566029
N-methyl-4-[4-(2-propylsulfonylethoxy)phenyl]butan-2-amine
CID 106722068
1-[3-fluoro-2-(2-propylsulfonylethoxy)phenyl]butan-2-amine
CID 106728472
1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine
CID 115495201
1-[4-(4-ethoxyphenoxy)phenyl]butan-2-amine
CID 63816977
1-[3-(3-ethylsulfonylpropoxy)phenyl]butan-2-amine
CID 65095474
1-[4-[(E)-but-2-enoxy]phenyl]butan-2-amine
CID 60907948
1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60906849

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-propylsulfonylethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[4-(2-propylsulfonylethoxy)phenyl]butan-2-amine (CID 106728342) is 1-[4-(2-propylsulfonylethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[4-(2-propylsulfonylethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[4-(2-propylsulfonylethoxy)phenyl]butan-2-amine is CCCS(=O)(=O)CCOc1ccc(CC(N)CC)cc1.
What is the InChIKey of 1-[4-(2-propylsulfonylethoxy)phenyl]butan-2-amine?
The InChIKey is OJUGKTHSBDWEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-3-10-20(17,18)11-9-19-15-7-5-13(6-8-15)12-14(16)4-2/h5-8,14H,3-4,9-12,16H2,1-2H3.
What are the key properties of 1-[4-(2-propylsulfonylethoxy)phenyl]butan-2-amine?
1-[4-(2-propylsulfonylethoxy)phenyl]butan-2-amine has a molecular weight of 299.44 g/mol, XLogP of 2.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-propylsulfonylethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 106728342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).