[3-(2-tert-butylsulfinylethoxy)phenyl]methanamine

C13H21NO2S — CID 81328936

IUPAC[3-(2-tert-butylsulfinylethoxy)phenyl]methanamine
SMILESCC(C)(C)S(=O)CCOc1cccc(CN)c1
InChIInChI=1S/C13H21NO2S/c1-13(2,3)17(15)8-7-16-12-6-4-5-11(9-12)10-14/h4-6,9H,7-8,10,14H2,1-3H3
InChIKeyYKTPZXACRIAWSZ-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.07
Rot. Bonds5

About [3-(2-tert-butylsulfinylethoxy)phenyl]methanamine

[3-(2-tert-butylsulfinylethoxy)phenyl]methanamine (PubChem CID 81328936) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is [3-(2-tert-butylsulfinylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2-tert-butylsulfinylethoxy)phenyl]methanamine
PubChem CID81328936
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name[3-(2-tert-butylsulfinylethoxy)phenyl]methanamine
SMILESCC(C)(C)S(=O)CCOc1cccc(CN)c1
InChIInChI=1S/C13H21NO2S/c1-13(2,3)17(15)8-7-16-12-6-4-5-11(9-12)10-14/h4-6,9H,7-8,10,14H2,1-3H3
InChIKeyYKTPZXACRIAWSZ-UHFFFAOYSA-N
XLogP2.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

2-[4-(2-tert-butylsulfinylethoxy)phenyl]ethanamine
CID 81329447
[3-[2-(2-chlorophenyl)sulfinylethoxy]phenyl]methanamine
CID 81329098
[3-[2-(2-bromophenyl)sulfinylethoxy]phenyl]methanamine
CID 81328254
3-[3-(aminomethyl)phenoxy]propane-1-sulfonamide
CID 174751701
2-[3-(aminomethyl)phenoxy]ethanol
CID 21465373
[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20989430
1-[2-[3-(aminomethyl)phenoxy]ethoxy]-N,N,2-trimethylpropan-2-amine
CID 79679962
[3-(3-ethoxypropoxy)phenyl]methanamine
CID 43253998
[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 167192586
6-[3-(aminomethyl)phenoxy]-2,2-dimethylhexanenitrile
CID 106708751
[3-[2-(2-phenoxyethoxy)ethoxy]phenyl]methanamine
CID 43254185
2-[3-(aminomethyl)phenoxy]-N-ethyl-N-methylethanamine
CID 43263089

Frequently Asked Questions

What is the IUPAC name of [3-(2-tert-butylsulfinylethoxy)phenyl]methanamine?
The IUPAC name of [3-(2-tert-butylsulfinylethoxy)phenyl]methanamine (CID 81328936) is [3-(2-tert-butylsulfinylethoxy)phenyl]methanamine.
What is the SMILES notation for [3-(2-tert-butylsulfinylethoxy)phenyl]methanamine?
The canonical SMILES for [3-(2-tert-butylsulfinylethoxy)phenyl]methanamine is CC(C)(C)S(=O)CCOc1cccc(CN)c1.
What is the InChIKey of [3-(2-tert-butylsulfinylethoxy)phenyl]methanamine?
The InChIKey is YKTPZXACRIAWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-13(2,3)17(15)8-7-16-12-6-4-5-11(9-12)10-14/h4-6,9H,7-8,10,14H2,1-3H3.
What are the key properties of [3-(2-tert-butylsulfinylethoxy)phenyl]methanamine?
[3-(2-tert-butylsulfinylethoxy)phenyl]methanamine has a molecular weight of 255.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-tert-butylsulfinylethoxy)phenyl]methanamine is sourced from PubChem (CID 81328936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).