1-(2-methoxy-5-methylphenyl)-2-(3-methylbutylsulfinyl)ethanamine

C15H25NO2S — CID 107760481

IUPAC1-(2-methoxy-5-methylphenyl)-2-(3-methylbutylsulfinyl)ethanamine
SMILESCOc1ccc(C)cc1C(N)CS(=O)CCC(C)C
InChIInChI=1S/C15H25NO2S/c1-11(2)7-8-19(17)10-14(16)13-9-12(3)5-6-15(13)18-4/h5-6,9,11,14H,7-8,10,16H2,1-4H3
InChIKeyUTDPQQNCQHIKFL-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.80
Rot. Bonds7

About 1-(2-methoxy-5-methylphenyl)-2-(3-methylbutylsulfinyl)ethanamine

1-(2-methoxy-5-methylphenyl)-2-(3-methylbutylsulfinyl)ethanamine (PubChem CID 107760481) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-(3-methylbutylsulfinyl)ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-(3-methylbutylsulfinyl)ethanamine
PubChem CID107760481
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-(3-methylbutylsulfinyl)ethanamine
SMILESCOc1ccc(C)cc1C(N)CS(=O)CCC(C)C
InChIInChI=1S/C15H25NO2S/c1-11(2)7-8-19(17)10-14(16)13-9-12(3)5-6-15(13)18-4/h5-6,9,11,14H,7-8,10,16H2,1-4H3
InChIKeyUTDPQQNCQHIKFL-UHFFFAOYSA-N
XLogP2.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-2-propylsulfinylethanamine
CID 64653186
1-(2-methoxy-5-methylphenyl)-2-(2-methylsulfonylethylsulfinyl)ethanamine
CID 64674922
1-(2-methoxy-5-methylphenyl)-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 61376925
(1R)-1-(2-methoxy-5-methylphenyl)butan-1-amine
CID 55278250
1-(2-methoxy-5-methylphenyl)-2-thiophen-2-ylsulfinylethanamine
CID 64652177
1-(2-methoxy-5-methylphenyl)-2-(4-methylpentan-2-yloxy)ethanamine
CID 43183961
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
5-amino-5-(2-methoxy-5-methylphenyl)pentanamide
CID 54927575
1-(2-methoxy-5-methylphenyl)decan-1-amine
CID 65449338
1-(2-methoxy-5-methylphenyl)undecan-1-amine
CID 115845828
N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 43265729
N'-butan-2-yl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 43272869

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(3-methylbutylsulfinyl)ethanamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(3-methylbutylsulfinyl)ethanamine (CID 107760481) is 1-(2-methoxy-5-methylphenyl)-2-(3-methylbutylsulfinyl)ethanamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-(3-methylbutylsulfinyl)ethanamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-(3-methylbutylsulfinyl)ethanamine is COc1ccc(C)cc1C(N)CS(=O)CCC(C)C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-(3-methylbutylsulfinyl)ethanamine?
The InChIKey is UTDPQQNCQHIKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-11(2)7-8-19(17)10-14(16)13-9-12(3)5-6-15(13)18-4/h5-6,9,11,14H,7-8,10,16H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-(3-methylbutylsulfinyl)ethanamine?
1-(2-methoxy-5-methylphenyl)-2-(3-methylbutylsulfinyl)ethanamine has a molecular weight of 283.44 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2-(3-methylbutylsulfinyl)ethanamine is sourced from PubChem (CID 107760481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).