(1r,2s)-2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol (CED0275557)

Record Information

Version

1.0

Creation Date

2026-08-30 02:25:25 UTC

Update Date

2026-08-30 02:25:25 UTC

Accession Number

CHEM320804

Identification

Common Name

(1r,2s)-2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol

Class

Small Molecule

Description

(1r,2s)-2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-ol is a chemical compound with the formula C20H35NOS and an average molecular weight of 337.60 g/mol. This substance has been identified in or released from one recorded source: electrical and electronic equipment, specifically antennas.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₀H₃₅NOS

Average Molecular Mass

Not Available

Monoisotopic Mass

337.244 g/mol

CAS Registry Number

54767-75-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCCCCCCCNC(C)C(C1=CC=C(C=C1)SC(C)C)O

InChI Identifier

InChI=1S/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3/t17-,20-/m0/s1

InChI Key

BFCDFTHTSVTWOG-PXNSSMCTSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-001i-3931000000-bd4741e5f9af113c4e60	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-024s-1297000000-3c45e8171f6fae8c0f40	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0200-5977000000-961d2da61a17dd769e49	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01r6-9610000000-53b65a54be79d14fc038	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-2129000000-0f2b31829c38146deda7	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004l-5393000000-9b857292599220d8d293	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-9720000000-5dbaa9b95071e4446237	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
506	Antennas	Electrical & Electronic Equipment	Not Available
578	Making Cigars	Industrial manufacturing & chemical processing	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Beta-3 adrenergic receptor	P13945	Humans	Predicted (SEA)	6.46149
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	44.8412
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	23.1991
Click to view 3D structure	Alkaline ceramidase 2	Q5QJU3	Humans	Predicted (SEA)	0.778492
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	69.7529
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	50.7577
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	52.9375
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	152.896
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	71.6213
Click to view 3D structure	Substance-K receptor	P21452	Humans	Predicted (SEA)	44.919
Click to view 3D structure	Alpha-2C adrenergic receptor	P18825	Humans	Predicted (SEA)	56.4407
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	103.384
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	361.298
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	50.8355
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	34.2537
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	166.519
Click to view 3D structure	Histamine H2 receptor	P25021	Humans	Predicted (SEA)	50.7577
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	141.919
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	36.5113
Click to view 3D structure	Tyrosine-protein kinase Fyn	P06241	Humans	Predicted (SEA)	285.94
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	47.2545
Click to view 3D structure	Beta-3 adrenergic receptor	P26255	Rattus norvegicus	Predicted (SEA)	3.58106
Click to view 3D structure	Beta-2 adrenergic receptor	P10608	Rattus norvegicus	Predicted (SEA)	4.9045
Click to view 3D structure	Ceramide transfer protein	Q9Y5P4	Humans	Predicted (SEA)	24.2111
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	208.169