1-(4-ethoxyphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine

C17H27NO2S — CID 64625568

IUPAC1-(4-ethoxyphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine
SMILESCCNC(CSC1CCOCC1)c1ccc(OCC)cc1
InChIInChI=1S/C17H27NO2S/c1-3-18-17(13-21-16-9-11-19-12-10-16)14-5-7-15(8-6-14)20-4-2/h5-8,16-18H,3-4,9-13H2,1-2H3
InChIKeyCTZIUMGDHQROOE-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.65
Rot. Bonds8

About 1-(4-ethoxyphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine

1-(4-ethoxyphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine (PubChem CID 64625568) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine
PubChem CID64625568
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Name1-(4-ethoxyphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine
SMILESCCNC(CSC1CCOCC1)c1ccc(OCC)cc1
InChIInChI=1S/C17H27NO2S/c1-3-18-17(13-21-16-9-11-19-12-10-16)14-5-7-15(8-6-14)20-4-2/h5-8,16-18H,3-4,9-13H2,1-2H3
InChIKeyCTZIUMGDHQROOE-UHFFFAOYSA-N
XLogP3.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64628346
2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64632442
N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine
CID 64626571
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64628145
1-(2,4-dimethylphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 64627355
1-(4-ethoxyphenyl)-N-ethyl-2-(oxetan-3-yloxy)ethanamine
CID 102606061
N-ethyl-1-(4-ethylphenyl)-2-(oxetan-3-ylsulfanyl)ethanamine
CID 79332301
2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethanamine
CID 104542586
N-ethyl-2-(oxolan-3-yl)-1-(4-propoxyphenyl)ethanamine
CID 103987406
1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43489419
1-(2,5-dimethoxyphenyl)-N-methyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 64627745
2-(oxan-4-ylsulfanyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 64626162

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine (CID 64625568) is 1-(4-ethoxyphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine is CCNC(CSC1CCOCC1)c1ccc(OCC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine?
The InChIKey is CTZIUMGDHQROOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-3-18-17(13-21-16-9-11-19-12-10-16)14-5-7-15(8-6-14)20-4-2/h5-8,16-18H,3-4,9-13H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine?
1-(4-ethoxyphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine has a molecular weight of 309.48 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine is sourced from PubChem (CID 64625568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).