(1R)-1-[4-bromo-2-(2-tert-butylsulfonylethoxy)phenyl]ethanamine

C14H22BrNO3S — CID 106722564

IUPAC(1R)-1-[4-bromo-2-(2-tert-butylsulfonylethoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Br)cc1OCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H22BrNO3S/c1-10(16)12-6-5-11(15)9-13(12)19-7-8-20(17,18)14(2,3)4/h5-6,9-10H,7-8,16H2,1-4H3/t10-/m1/s1
InChIKeyXNIRXVJLNUFPDO-SNVBAGLBSA-N
MW364.31 g/mol
LogP3.06
Rot. Bonds5

About (1R)-1-[4-bromo-2-(2-tert-butylsulfonylethoxy)phenyl]ethanamine

(1R)-1-[4-bromo-2-(2-tert-butylsulfonylethoxy)phenyl]ethanamine (PubChem CID 106722564) has the molecular formula C14H22BrNO3S and a molecular weight of 364.31 g/mol. Its IUPAC name is (1R)-1-[4-bromo-2-(2-tert-butylsulfonylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-bromo-2-(2-tert-butylsulfonylethoxy)phenyl]ethanamine
PubChem CID106722564
Molecular FormulaC14H22BrNO3S
Molecular Weight364.31 g/mol
Exact Mass363.05
IUPAC Name(1R)-1-[4-bromo-2-(2-tert-butylsulfonylethoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Br)cc1OCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H22BrNO3S/c1-10(16)12-6-5-11(15)9-13(12)19-7-8-20(17,18)14(2,3)4/h5-6,9-10H,7-8,16H2,1-4H3/t10-/m1/s1
InChIKeyXNIRXVJLNUFPDO-SNVBAGLBSA-N
XLogP3.06
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 102946902
1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine
CID 102946431
1-[4-(2-tert-butylsulfonylethoxy)-3-methylphenyl]ethanamine
CID 106722489
(1R)-1-(4-bromo-2-heptoxyphenyl)ethanamine
CID 102946514
4-[2-[(1S)-1-aminoethyl]-5-bromophenoxy]butan-2-ol
CID 102947266
1-[4-bromo-2-(2-methylsulfanylethoxy)phenyl]ethanamine
CID 102946275
5-bromo-2-(2-tert-butylsulfonylethoxy)benzoic acid
CID 103696888
1-[4-bromo-2-(2-cyclobutylethoxy)phenyl]ethanamine
CID 114157575
4-(2-tert-butylsulfonylethoxy)-2-methyl-5-propan-2-ylaniline
CID 106721708
(1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
CID 102946643
(1R)-1-[4-bromo-2-(3-phenoxypropoxy)phenyl]ethanamine
CID 102946886
(1S)-1-[4-bromo-2-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 102947179

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-bromo-2-(2-tert-butylsulfonylethoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-bromo-2-(2-tert-butylsulfonylethoxy)phenyl]ethanamine (CID 106722564) is (1R)-1-[4-bromo-2-(2-tert-butylsulfonylethoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-bromo-2-(2-tert-butylsulfonylethoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-bromo-2-(2-tert-butylsulfonylethoxy)phenyl]ethanamine is C[C@@H](N)c1ccc(Br)cc1OCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of (1R)-1-[4-bromo-2-(2-tert-butylsulfonylethoxy)phenyl]ethanamine?
The InChIKey is XNIRXVJLNUFPDO-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22BrNO3S/c1-10(16)12-6-5-11(15)9-13(12)19-7-8-20(17,18)14(2,3)4/h5-6,9-10H,7-8,16H2,1-4H3/t10-/m1/s1.
What are the key properties of (1R)-1-[4-bromo-2-(2-tert-butylsulfonylethoxy)phenyl]ethanamine?
(1R)-1-[4-bromo-2-(2-tert-butylsulfonylethoxy)phenyl]ethanamine has a molecular weight of 364.31 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-bromo-2-(2-tert-butylsulfonylethoxy)phenyl]ethanamine is sourced from PubChem (CID 106722564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).