1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine

C14H23NO2S — CID 107759587

IUPAC1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine
SMILESCOc1ccccc1C(N)CS(=O)C(C)C(C)C
InChIInChI=1S/C14H23NO2S/c1-10(2)11(3)18(16)9-13(15)12-7-5-6-8-14(12)17-4/h5-8,10-11,13H,9,15H2,1-4H3
InChIKeyTYXPGZDGCHLOSU-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.49
Rot. Bonds6

About 1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine

1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine (PubChem CID 107759587) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine
PubChem CID107759587
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine
SMILESCOc1ccccc1C(N)CS(=O)C(C)C(C)C
InChIInChI=1S/C14H23NO2S/c1-10(2)11(3)18(16)9-13(15)12-7-5-6-8-14(12)17-4/h5-8,10-11,13H,9,15H2,1-4H3
InChIKeyTYXPGZDGCHLOSU-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine
CID 107759551
1-(2-methoxyphenyl)-2-propylsulfinylethanamine
CID 64652580
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
2-[(2-chlorophenyl)methylsulfinyl]-1-(2-methoxyphenyl)ethanamine
CID 103290531
2-[2-amino-2-(2-methoxyphenyl)ethyl]sulfinyl-N-methylacetamide
CID 114232067
(1S)-1-(2-methoxyphenyl)propane-1,3-diamine
CID 171219974
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
1-(2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 64611517
2-(2-methoxyphenyl)-4-methylpentan-3-amine
CID 79299473

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine?
The IUPAC name of 1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine (CID 107759587) is 1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine is COc1ccccc1C(N)CS(=O)C(C)C(C)C.
What is the InChIKey of 1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine?
The InChIKey is TYXPGZDGCHLOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-10(2)11(3)18(16)9-13(15)12-7-5-6-8-14(12)17-4/h5-8,10-11,13H,9,15H2,1-4H3.
What are the key properties of 1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine?
1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine is sourced from PubChem (CID 107759587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).