1-[3-(tert-butylsulfinylmethyl)-4-methoxyphenyl]ethanamine

C14H23NO2S — CID 64653784

IUPAC1-[3-(tert-butylsulfinylmethyl)-4-methoxyphenyl]ethanamine
SMILESCOc1ccc(C(C)N)cc1CS(=O)C(C)(C)C
InChIInChI=1S/C14H23NO2S/c1-10(15)11-6-7-13(17-5)12(8-11)9-18(16)14(2,3)4/h6-8,10H,9,15H2,1-5H3
InChIKeyGSJRCSIOGISMDP-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.76
Rot. Bonds4

About 1-[3-(tert-butylsulfinylmethyl)-4-methoxyphenyl]ethanamine

1-[3-(tert-butylsulfinylmethyl)-4-methoxyphenyl]ethanamine (PubChem CID 64653784) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-[3-(tert-butylsulfinylmethyl)-4-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(tert-butylsulfinylmethyl)-4-methoxyphenyl]ethanamine
PubChem CID64653784
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-[3-(tert-butylsulfinylmethyl)-4-methoxyphenyl]ethanamine
SMILESCOc1ccc(C(C)N)cc1CS(=O)C(C)(C)C
InChIInChI=1S/C14H23NO2S/c1-10(15)11-6-7-13(17-5)12(8-11)9-18(16)14(2,3)4/h6-8,10H,9,15H2,1-5H3
InChIKeyGSJRCSIOGISMDP-UHFFFAOYSA-N
XLogP2.76
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(tert-butylsulfinylmethyl)-4-methoxyphenyl]ethyl]propan-1-amine
CID 64652983
[3-(tert-butylsulfinylmethyl)-4-methoxyphenyl]methanamine
CID 64653988
1-[4-methoxy-3-(oxan-4-ylsulfinylmethyl)phenyl]ethanamine
CID 64657070
1-[4-methoxy-3-(methylsulfanylmethyl)phenyl]ethanamine
CID 64626883
1-[4-methoxy-3-(3-methylbutan-2-ylsulfonylmethyl)phenyl]ethanamine
CID 107759221
(1R)-1-[3-methoxy-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 103939561
1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79178939
1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]ethanamine
CID 54936626
N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 60861216
1-[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]ethanamine
CID 64673614
1-[3-(butylsulfinylmethyl)-4-ethoxyphenyl]ethanamine
CID 64656167
N-ethyl-1-[4-methoxy-3-(2-methylpropylsulfinylmethyl)phenyl]ethanamine
CID 64652652

Frequently Asked Questions

What is the IUPAC name of 1-[3-(tert-butylsulfinylmethyl)-4-methoxyphenyl]ethanamine?
The IUPAC name of 1-[3-(tert-butylsulfinylmethyl)-4-methoxyphenyl]ethanamine (CID 64653784) is 1-[3-(tert-butylsulfinylmethyl)-4-methoxyphenyl]ethanamine.
What is the SMILES notation for 1-[3-(tert-butylsulfinylmethyl)-4-methoxyphenyl]ethanamine?
The canonical SMILES for 1-[3-(tert-butylsulfinylmethyl)-4-methoxyphenyl]ethanamine is COc1ccc(C(C)N)cc1CS(=O)C(C)(C)C.
What is the InChIKey of 1-[3-(tert-butylsulfinylmethyl)-4-methoxyphenyl]ethanamine?
The InChIKey is GSJRCSIOGISMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-10(15)11-6-7-13(17-5)12(8-11)9-18(16)14(2,3)4/h6-8,10H,9,15H2,1-5H3.
What are the key properties of 1-[3-(tert-butylsulfinylmethyl)-4-methoxyphenyl]ethanamine?
1-[3-(tert-butylsulfinylmethyl)-4-methoxyphenyl]ethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(tert-butylsulfinylmethyl)-4-methoxyphenyl]ethanamine is sourced from PubChem (CID 64653784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).