N-ethyl-1-(4-ethylphenyl)-2-(oxetan-3-ylsulfanyl)ethanamine

C15H23NOS — CID 79332301

IUPACN-ethyl-1-(4-ethylphenyl)-2-(oxetan-3-ylsulfanyl)ethanamine
SMILESCCNC(CSC1COC1)c1ccc(CC)cc1
InChIInChI=1S/C15H23NOS/c1-3-12-5-7-13(8-6-12)15(16-4-2)11-18-14-9-17-10-14/h5-8,14-16H,3-4,9-11H2,1-2H3
InChIKeyJZOVWKZNBVUILL-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.03
Rot. Bonds7

About N-ethyl-1-(4-ethylphenyl)-2-(oxetan-3-ylsulfanyl)ethanamine

N-ethyl-1-(4-ethylphenyl)-2-(oxetan-3-ylsulfanyl)ethanamine (PubChem CID 79332301) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-ethyl-1-(4-ethylphenyl)-2-(oxetan-3-ylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-ethylphenyl)-2-(oxetan-3-ylsulfanyl)ethanamine
PubChem CID79332301
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-ethyl-1-(4-ethylphenyl)-2-(oxetan-3-ylsulfanyl)ethanamine
SMILESCCNC(CSC1COC1)c1ccc(CC)cc1
InChIInChI=1S/C15H23NOS/c1-3-12-5-7-13(8-6-12)15(16-4-2)11-18-14-9-17-10-14/h5-8,14-16H,3-4,9-11H2,1-2H3
InChIKeyJZOVWKZNBVUILL-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(oxetan-3-ylsulfanyl)-1-(4-propylphenyl)ethyl]propan-1-amine
CID 79333233
N-[1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine
CID 79332413
N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine
CID 64626571
N-[1-(4-tert-butylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine
CID 79323052
1-(2,5-dimethylphenyl)-N-ethyl-2-(oxetan-3-ylsulfanyl)ethanamine
CID 79332878
1-(4-ethoxyphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 64625568
1-(4-ethylphenyl)-N-methyl-2-(3-methylcyclohexyl)sulfanylethanamine
CID 64632423
2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64628346
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64628145
2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64632442
N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine
CID 64628015
N-ethyl-1-(oxetan-3-ylsulfanyl)butan-2-amine
CID 79333466

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-ethylphenyl)-2-(oxetan-3-ylsulfanyl)ethanamine?
The IUPAC name of N-ethyl-1-(4-ethylphenyl)-2-(oxetan-3-ylsulfanyl)ethanamine (CID 79332301) is N-ethyl-1-(4-ethylphenyl)-2-(oxetan-3-ylsulfanyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-ethylphenyl)-2-(oxetan-3-ylsulfanyl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-ethylphenyl)-2-(oxetan-3-ylsulfanyl)ethanamine is CCNC(CSC1COC1)c1ccc(CC)cc1.
What is the InChIKey of N-ethyl-1-(4-ethylphenyl)-2-(oxetan-3-ylsulfanyl)ethanamine?
The InChIKey is JZOVWKZNBVUILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-3-12-5-7-13(8-6-12)15(16-4-2)11-18-14-9-17-10-14/h5-8,14-16H,3-4,9-11H2,1-2H3.
What are the key properties of N-ethyl-1-(4-ethylphenyl)-2-(oxetan-3-ylsulfanyl)ethanamine?
N-ethyl-1-(4-ethylphenyl)-2-(oxetan-3-ylsulfanyl)ethanamine has a molecular weight of 265.42 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-ethylphenyl)-2-(oxetan-3-ylsulfanyl)ethanamine is sourced from PubChem (CID 79332301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).