2-[4-(2-tert-butylsulfinylethoxy)phenyl]ethanamine

C14H23NO2S — CID 81329447

IUPAC2-[4-(2-tert-butylsulfinylethoxy)phenyl]ethanamine
SMILESCC(C)(C)S(=O)CCOc1ccc(CCN)cc1
InChIInChI=1S/C14H23NO2S/c1-14(2,3)18(16)11-10-17-13-6-4-12(5-7-13)8-9-15/h4-7H,8-11,15H2,1-3H3
InChIKeyMGWCWAXMGUYHLT-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.11
Rot. Bonds6

About 2-[4-(2-tert-butylsulfinylethoxy)phenyl]ethanamine

2-[4-(2-tert-butylsulfinylethoxy)phenyl]ethanamine (PubChem CID 81329447) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-[4-(2-tert-butylsulfinylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-tert-butylsulfinylethoxy)phenyl]ethanamine
PubChem CID81329447
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name2-[4-(2-tert-butylsulfinylethoxy)phenyl]ethanamine
SMILESCC(C)(C)S(=O)CCOc1ccc(CCN)cc1
InChIInChI=1S/C14H23NO2S/c1-14(2,3)18(16)11-10-17-13-6-4-12(5-7-13)8-9-15/h4-7H,8-11,15H2,1-3H3
InChIKeyMGWCWAXMGUYHLT-UHFFFAOYSA-N
XLogP2.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(4-methylphenyl)sulfinylethoxy]phenyl]ethanamine
CID 81319743
2-[4-[2-(2-methylsulfonylethylsulfinyl)ethoxy]phenyl]ethanamine
CID 81328291
[3-(2-tert-butylsulfinylethoxy)phenyl]methanamine
CID 81328936
2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042
2-[4-(3-methylsulfonylpropoxy)phenyl]ethanamine
CID 63190771
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
4-[4-(2-aminoethyl)phenoxy]-2,2-dimethylbutanenitrile
CID 65251071
2-[4-(3-methylbutoxy)phenyl]ethanamine
CID 16786544
2-[4-(dimethylphosphorylmethoxy)phenyl]ethanamine
CID 54076890
[4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol
CID 61229719
2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine
CID 152682360
2-[4-[2-(3-methoxy-3-methylbutoxy)ethoxy]phenyl]ethanamine
CID 106665158

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-tert-butylsulfinylethoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-(2-tert-butylsulfinylethoxy)phenyl]ethanamine (CID 81329447) is 2-[4-(2-tert-butylsulfinylethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(2-tert-butylsulfinylethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-(2-tert-butylsulfinylethoxy)phenyl]ethanamine is CC(C)(C)S(=O)CCOc1ccc(CCN)cc1.
What is the InChIKey of 2-[4-(2-tert-butylsulfinylethoxy)phenyl]ethanamine?
The InChIKey is MGWCWAXMGUYHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-14(2,3)18(16)11-10-17-13-6-4-12(5-7-13)8-9-15/h4-7H,8-11,15H2,1-3H3.
What are the key properties of 2-[4-(2-tert-butylsulfinylethoxy)phenyl]ethanamine?
2-[4-(2-tert-butylsulfinylethoxy)phenyl]ethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-tert-butylsulfinylethoxy)phenyl]ethanamine is sourced from PubChem (CID 81329447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).