[4-(2-butan-2-ylsulfinylethoxy)phenyl]methanamine

C13H21NO2S — CID 81328321

IUPAC[4-(2-butan-2-ylsulfinylethoxy)phenyl]methanamine
SMILESCCC(C)S(=O)CCOc1ccc(CN)cc1
InChIInChI=1S/C13H21NO2S/c1-3-11(2)17(15)9-8-16-13-6-4-12(10-14)5-7-13/h4-7,11H,3,8-10,14H2,1-2H3
InChIKeyGZCZXUYCDJEYQL-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.07
Rot. Bonds7

About [4-(2-butan-2-ylsulfinylethoxy)phenyl]methanamine

[4-(2-butan-2-ylsulfinylethoxy)phenyl]methanamine (PubChem CID 81328321) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is [4-(2-butan-2-ylsulfinylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2-butan-2-ylsulfinylethoxy)phenyl]methanamine
PubChem CID81328321
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name[4-(2-butan-2-ylsulfinylethoxy)phenyl]methanamine
SMILESCCC(C)S(=O)CCOc1ccc(CN)cc1
InChIInChI=1S/C13H21NO2S/c1-3-11(2)17(15)9-8-16-13-6-4-12(10-14)5-7-13/h4-7,11H,3,8-10,14H2,1-2H3
InChIKeyGZCZXUYCDJEYQL-UHFFFAOYSA-N
XLogP2.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-bromophenoxy)ethylsulfinyl]butan-1-amine
CID 81193693
[4-[2-(4-butan-2-ylpiperazin-1-yl)ethoxy]phenyl]methanamine
CID 62775375
[4-(2-methylbutoxy)phenyl]methanamine
CID 62105657
(4-decoxyphenyl)methanamine
CID 55187501
[4-(4-butoxyphenyl)phenyl]methanamine
CID 43366436
[4-(4-propoxyphenoxy)phenyl]methanamine
CID 28971093
[4-[4-(3-methylbutoxy)phenyl]phenyl]methanamine
CID 43174546
[4-(3-ethylsulfonylpropoxy)phenyl]methanamine
CID 64697792
[4-[2-[(2-methylphenyl)methylsulfinyl]ethoxy]phenyl]methanamine
CID 81333734
[4-[3-(2-propan-2-yloxyethoxy)propoxy]phenyl]methanamine
CID 43254235
[4-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]phenyl]methanamine
CID 43585070
[4-(2-cyclohexylsulfinylethoxy)phenyl]methanamine
CID 81328051

Frequently Asked Questions

What is the IUPAC name of [4-(2-butan-2-ylsulfinylethoxy)phenyl]methanamine?
The IUPAC name of [4-(2-butan-2-ylsulfinylethoxy)phenyl]methanamine (CID 81328321) is [4-(2-butan-2-ylsulfinylethoxy)phenyl]methanamine.
What is the SMILES notation for [4-(2-butan-2-ylsulfinylethoxy)phenyl]methanamine?
The canonical SMILES for [4-(2-butan-2-ylsulfinylethoxy)phenyl]methanamine is CCC(C)S(=O)CCOc1ccc(CN)cc1.
What is the InChIKey of [4-(2-butan-2-ylsulfinylethoxy)phenyl]methanamine?
The InChIKey is GZCZXUYCDJEYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-3-11(2)17(15)9-8-16-13-6-4-12(10-14)5-7-13/h4-7,11H,3,8-10,14H2,1-2H3.
What are the key properties of [4-(2-butan-2-ylsulfinylethoxy)phenyl]methanamine?
[4-(2-butan-2-ylsulfinylethoxy)phenyl]methanamine has a molecular weight of 255.38 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-butan-2-ylsulfinylethoxy)phenyl]methanamine is sourced from PubChem (CID 81328321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).