2-[4-(2-butan-2-ylsulfonylethoxy)phenyl]ethanamine

C14H23NO3S — CID 64698428

IUPAC2-[4-(2-butan-2-ylsulfonylethoxy)phenyl]ethanamine
SMILESCCC(C)S(=O)(=O)CCOc1ccc(CCN)cc1
InChIInChI=1S/C14H23NO3S/c1-3-12(2)19(16,17)11-10-18-14-6-4-13(5-7-14)8-9-15/h4-7,12H,3,8-11,15H2,1-2H3
InChIKeyWGOPQVBCWSPRIM-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.78
Rot. Bonds8

About 2-[4-(2-butan-2-ylsulfonylethoxy)phenyl]ethanamine

2-[4-(2-butan-2-ylsulfonylethoxy)phenyl]ethanamine (PubChem CID 64698428) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-[4-(2-butan-2-ylsulfonylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-butan-2-ylsulfonylethoxy)phenyl]ethanamine
PubChem CID64698428
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name2-[4-(2-butan-2-ylsulfonylethoxy)phenyl]ethanamine
SMILESCCC(C)S(=O)(=O)CCOc1ccc(CCN)cc1
InChIInChI=1S/C14H23NO3S/c1-3-12(2)19(16,17)11-10-18-14-6-4-13(5-7-14)8-9-15/h4-7,12H,3,8-11,15H2,1-2H3
InChIKeyWGOPQVBCWSPRIM-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-butan-2-ylsulfonylethoxy)phenyl]acetonitrile
CID 64692433
2-[4-(3-methylsulfonylpropoxy)phenyl]ethanamine
CID 63190771
2-[2-(4-bromophenoxy)ethylsulfonyl]propan-1-amine
CID 81186339
2-[4-(3-methylbutoxy)phenyl]ethanamine
CID 16786544
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
2-[4-(2-methylbutoxy)phenyl]ethanamine
CID 62105840
1-[4-(2-ethylsulfonylethoxy)phenyl]propan-2-amine
CID 54930795
2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042
2-[4-[2-(2-methylsulfonylethylsulfinyl)ethoxy]phenyl]ethanamine
CID 81328291
1-[4-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-one
CID 106725005
2-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321
1-[4-(2-propylsulfonylethoxy)phenyl]butan-2-amine
CID 106728342

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-butan-2-ylsulfonylethoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-(2-butan-2-ylsulfonylethoxy)phenyl]ethanamine (CID 64698428) is 2-[4-(2-butan-2-ylsulfonylethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(2-butan-2-ylsulfonylethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-(2-butan-2-ylsulfonylethoxy)phenyl]ethanamine is CCC(C)S(=O)(=O)CCOc1ccc(CCN)cc1.
What is the InChIKey of 2-[4-(2-butan-2-ylsulfonylethoxy)phenyl]ethanamine?
The InChIKey is WGOPQVBCWSPRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-3-12(2)19(16,17)11-10-18-14-6-4-13(5-7-14)8-9-15/h4-7,12H,3,8-11,15H2,1-2H3.
What are the key properties of 2-[4-(2-butan-2-ylsulfonylethoxy)phenyl]ethanamine?
2-[4-(2-butan-2-ylsulfonylethoxy)phenyl]ethanamine has a molecular weight of 285.41 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-butan-2-ylsulfonylethoxy)phenyl]ethanamine is sourced from PubChem (CID 64698428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).