1-(2-methoxy-5-methylphenyl)-2-propylsulfinylethanamine

C13H21NO2S — CID 64653186

IUPAC1-(2-methoxy-5-methylphenyl)-2-propylsulfinylethanamine
SMILESCCCS(=O)CC(N)c1cc(C)ccc1OC
InChIInChI=1S/C13H21NO2S/c1-4-7-17(15)9-12(14)11-8-10(2)5-6-13(11)16-3/h5-6,8,12H,4,7,9,14H2,1-3H3
InChIKeyJLOYMBNWWADDGF-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.16
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)-2-propylsulfinylethanamine

1-(2-methoxy-5-methylphenyl)-2-propylsulfinylethanamine (PubChem CID 64653186) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-propylsulfinylethanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-propylsulfinylethanamine
PubChem CID64653186
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-propylsulfinylethanamine
SMILESCCCS(=O)CC(N)c1cc(C)ccc1OC
InChIInChI=1S/C13H21NO2S/c1-4-7-17(15)9-12(14)11-8-10(2)5-6-13(11)16-3/h5-6,8,12H,4,7,9,14H2,1-3H3
InChIKeyJLOYMBNWWADDGF-UHFFFAOYSA-N
XLogP2.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-2-(3-methylbutylsulfinyl)ethanamine
CID 107760481
1-(2-methoxy-5-methylphenyl)-2-(2-methylsulfonylethylsulfinyl)ethanamine
CID 64674922
1-(2-methoxyphenyl)-2-propylsulfinylethanamine
CID 64652580
(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)decan-1-amine
CID 65449338
1-(2-methoxy-5-methylphenyl)undecan-1-amine
CID 115845828
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
1-(2-methoxy-5-methylphenyl)-2-pentylsulfonylethanamine
CID 107758540
3-amino-3-(2-methoxy-5-methylphenyl)propanehydrazide
CID 116848730
1-(2-methoxy-5-methylphenyl)-2-pentan-2-yloxyethanamine
CID 102981344
2-heptoxy-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43127467

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-propylsulfinylethanamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-propylsulfinylethanamine (CID 64653186) is 1-(2-methoxy-5-methylphenyl)-2-propylsulfinylethanamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-propylsulfinylethanamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-propylsulfinylethanamine is CCCS(=O)CC(N)c1cc(C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-propylsulfinylethanamine?
The InChIKey is JLOYMBNWWADDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-4-7-17(15)9-12(14)11-8-10(2)5-6-13(11)16-3/h5-6,8,12H,4,7,9,14H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-propylsulfinylethanamine?
1-(2-methoxy-5-methylphenyl)-2-propylsulfinylethanamine has a molecular weight of 255.38 g/mol, XLogP of 2.16, 6 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-propylsulfinylethanamine is sourced from PubChem (CID 64653186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).