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

C14H23NO3S — CID 106721929

IUPAC1-[2-(2-propylsulfonylethoxy)phenyl]propan-1-amine
SMILESCCCS(=O)(=O)CCOc1ccccc1C(N)CC
InChIInChI=1S/C14H23NO3S/c1-3-10-19(16,17)11-9-18-14-8-6-5-7-12(14)13(15)4-2/h5-8,13H,3-4,9-11,15H2,1-2H3
InChIKeyLTSWCZBWXYFUGP-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.30
Rot. Bonds8

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

1-[2-(2-propylsulfonylethoxy)phenyl]propan-1-amine (PubChem CID 106721929) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-[2-(2-propylsulfonylethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-(2-propylsulfonylethoxy)phenyl]propan-1-amine
PubChem CID106721929
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name1-[2-(2-propylsulfonylethoxy)phenyl]propan-1-amine
SMILESCCCS(=O)(=O)CCOc1ccccc1C(N)CC
InChIInChI=1S/C14H23NO3S/c1-3-10-19(16,17)11-9-18-14-8-6-5-7-12(14)13(15)4-2/h5-8,13H,3-4,9-11,15H2,1-2H3
InChIKeyLTSWCZBWXYFUGP-UHFFFAOYSA-N
XLogP2.30
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-2-(2-propylsulfonylethoxy)benzene
CID 106732629
1-(2-decoxyphenyl)propan-1-amine
CID 63501298
1-(2-nonoxyphenyl)propan-1-amine
CID 43129040
(1R)-1-(2-decoxyphenyl)propan-1-amine
CID 63485887
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
2-(2-propylsulfonylethoxy)phenol
CID 106726690
1-ethyl-2-(2-propylsulfonylethoxy)benzene
CID 106732626
1-[2-(2-ethoxyphenoxy)ethylsulfonyl]propan-2-amine
CID 81189444
(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
CID 104560938
1-(2-propylsulfonylethoxy)naphthalene
CID 106732634
5-[2-[(1S)-1-aminopropyl]phenoxy]pentan-1-ol
CID 78933156
(1R)-1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 103939558

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-propylsulfonylethoxy)phenyl]propan-1-amine?
The IUPAC name of 1-[2-(2-propylsulfonylethoxy)phenyl]propan-1-amine (CID 106721929) is 1-[2-(2-propylsulfonylethoxy)phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-(2-propylsulfonylethoxy)phenyl]propan-1-amine?
The canonical SMILES for 1-[2-(2-propylsulfonylethoxy)phenyl]propan-1-amine is CCCS(=O)(=O)CCOc1ccccc1C(N)CC.
What is the InChIKey of 1-[2-(2-propylsulfonylethoxy)phenyl]propan-1-amine?
The InChIKey is LTSWCZBWXYFUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-3-10-19(16,17)11-9-18-14-8-6-5-7-12(14)13(15)4-2/h5-8,13H,3-4,9-11,15H2,1-2H3.
What are the key properties of 1-[2-(2-propylsulfonylethoxy)phenyl]propan-1-amine?
1-[2-(2-propylsulfonylethoxy)phenyl]propan-1-amine has a molecular weight of 285.41 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-propylsulfonylethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 106721929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).