1-(2,5-dimethylphenyl)-N-ethyl-2-(oxetan-3-ylsulfanyl)ethanamine

C15H23NOS — CID 79332878

IUPAC1-(2,5-dimethylphenyl)-N-ethyl-2-(oxetan-3-ylsulfanyl)ethanamine
SMILESCCNC(CSC1COC1)c1cc(C)ccc1C
InChIInChI=1S/C15H23NOS/c1-4-16-15(10-18-13-8-17-9-13)14-7-11(2)5-6-12(14)3/h5-7,13,15-16H,4,8-10H2,1-3H3
InChIKeyZDQSRQBKCWZXKI-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.09
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-N-ethyl-2-(oxetan-3-ylsulfanyl)ethanamine

1-(2,5-dimethylphenyl)-N-ethyl-2-(oxetan-3-ylsulfanyl)ethanamine (PubChem CID 79332878) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-ethyl-2-(oxetan-3-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-ethyl-2-(oxetan-3-ylsulfanyl)ethanamine
PubChem CID79332878
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name1-(2,5-dimethylphenyl)-N-ethyl-2-(oxetan-3-ylsulfanyl)ethanamine
SMILESCCNC(CSC1COC1)c1cc(C)ccc1C
InChIInChI=1S/C15H23NOS/c1-4-16-15(10-18-13-8-17-9-13)14-7-11(2)5-6-12(14)3/h5-7,13,15-16H,4,8-10H2,1-3H3
InChIKeyZDQSRQBKCWZXKI-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 64627355
1-(2,5-dimethylphenyl)-N-ethyl-2-(2-methyloxolan-3-yl)sulfanylethanamine
CID 107762758
1-(2,5-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64614076
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylbutan-2-ylsulfanyl)ethanamine
CID 107763423
N-[1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine
CID 79332413
N-ethyl-1-(4-ethylphenyl)-2-(oxetan-3-ylsulfanyl)ethanamine
CID 79332301
1-(2,5-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627095
2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 114457580
1-(2,5-dimethylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 64620085
1-(2,5-dimethylphenyl)-N-ethyl-2-(furan-2-ylmethylsulfanyl)ethanamine
CID 64610321
1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43490798

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-2-(oxetan-3-ylsulfanyl)ethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-2-(oxetan-3-ylsulfanyl)ethanamine (CID 79332878) is 1-(2,5-dimethylphenyl)-N-ethyl-2-(oxetan-3-ylsulfanyl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-ethyl-2-(oxetan-3-ylsulfanyl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-ethyl-2-(oxetan-3-ylsulfanyl)ethanamine is CCNC(CSC1COC1)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-ethyl-2-(oxetan-3-ylsulfanyl)ethanamine?
The InChIKey is ZDQSRQBKCWZXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-4-16-15(10-18-13-8-17-9-13)14-7-11(2)5-6-12(14)3/h5-7,13,15-16H,4,8-10H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-ethyl-2-(oxetan-3-ylsulfanyl)ethanamine?
1-(2,5-dimethylphenyl)-N-ethyl-2-(oxetan-3-ylsulfanyl)ethanamine has a molecular weight of 265.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-ethyl-2-(oxetan-3-ylsulfanyl)ethanamine is sourced from PubChem (CID 79332878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).