(1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanamine

C14H23NO3S — CID 106722297

IUPAC(1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1cccc(OCCS(=O)(=O)C(C)(C)C)c1
InChIInChI=1S/C14H23NO3S/c1-11(15)12-6-5-7-13(10-12)18-8-9-19(16,17)14(2,3)4/h5-7,10-11H,8-9,15H2,1-4H3/t11-/m1/s1
InChIKeyCLTUZZKOVYRSGS-LLVKDONJSA-N
MW285.41 g/mol
LogP2.30
Rot. Bonds5

About (1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanamine

(1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanamine (PubChem CID 106722297) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is (1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanamine
PubChem CID106722297
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name(1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1cccc(OCCS(=O)(=O)C(C)(C)C)c1
InChIInChI=1S/C14H23NO3S/c1-11(15)12-6-5-7-13(10-12)18-8-9-19(16,17)14(2,3)4/h5-7,10-11H,8-9,15H2,1-4H3/t11-/m1/s1
InChIKeyCLTUZZKOVYRSGS-LLVKDONJSA-N
XLogP2.30
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

(1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanol
CID 106726253
1-[4-(2-tert-butylsulfonylethoxy)-3-methylphenyl]ethanamine
CID 106722489
1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112587902
(1R)-1-[4-(2-tert-butylsulfonylethoxy)-3-chlorophenyl]ethanamine
CID 106722525
(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80698499
(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine
CID 30071838
(1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine
CID 78996560
1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104646853
(1R)-1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104647096
5-[3-(1-aminoethyl)phenoxy]-2,2-dimethylpentanenitrile
CID 65256729
3-[3-[(1S)-1-aminoethyl]phenoxy]propanenitrile
CID 55255938
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanamine
CID 106450340

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanamine (CID 106722297) is (1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanamine is C[C@@H](N)c1cccc(OCCS(=O)(=O)C(C)(C)C)c1.
What is the InChIKey of (1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanamine?
The InChIKey is CLTUZZKOVYRSGS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-11(15)12-6-5-7-13(10-12)18-8-9-19(16,17)14(2,3)4/h5-7,10-11H,8-9,15H2,1-4H3/t11-/m1/s1.
What are the key properties of (1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanamine?
(1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanamine has a molecular weight of 285.41 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanamine is sourced from PubChem (CID 106722297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).