2-(2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine

C13H19NOS — CID 79963416

IUPAC2-(2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine
SMILESCc1ccccc1CC(N)C1CSCCO1
InChIInChI=1S/C13H19NOS/c1-10-4-2-3-5-11(10)8-12(14)13-9-16-7-6-15-13/h2-5,12-13H,6-9,14H2,1H3
InChIKeyDAHBPUXQTUXHSR-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.00
Rot. Bonds3

About 2-(2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine

2-(2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine (PubChem CID 79963416) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine
PubChem CID79963416
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-(2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine
SMILESCc1ccccc1CC(N)C1CSCCO1
InChIInChI=1S/C13H19NOS/c1-10-4-2-3-5-11(10)8-12(14)13-9-16-7-6-15-13/h2-5,12-13H,6-9,14H2,1H3
InChIKeyDAHBPUXQTUXHSR-UHFFFAOYSA-N
XLogP2.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine
CID 105374163
1-(4-methylmorpholin-2-yl)-2-(2-methylphenyl)ethanamine
CID 79093432
(1S)-1-(1,4-oxathian-2-yl)propan-1-amine
CID 104932260
2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanol
CID 105373529
1-(1,4-oxathian-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 79962815
(7-methyl-1-benzofuran-2-yl)-(1,4-oxathian-2-yl)methanamine
CID 114730009
2-(3-bromo-4-fluorophenyl)-1-(1,4-oxathian-2-yl)ethanamine
CID 79963811
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1,4-oxathian-2-yl)ethanamine
CID 79963922
1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 79963410
[1-(1,4-oxathian-2-yl)-2-phenylethyl]hydrazine
CID 105249482
(1R)-1-(1,4-oxathian-2-yl)ethanamine
CID 104932096
1-(1,4-oxathian-2-yl)pent-3-yn-1-amine
CID 79963123

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine?
The IUPAC name of 2-(2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine (CID 79963416) is 2-(2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine.
What is the SMILES notation for 2-(2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine?
The canonical SMILES for 2-(2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine is Cc1ccccc1CC(N)C1CSCCO1.
What is the InChIKey of 2-(2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine?
The InChIKey is DAHBPUXQTUXHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10-4-2-3-5-11(10)8-12(14)13-9-16-7-6-15-13/h2-5,12-13H,6-9,14H2,1H3.
What are the key properties of 2-(2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine?
2-(2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine has a molecular weight of 237.37 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine is sourced from PubChem (CID 79963416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).