2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine

C17H27NOS — CID 64628346

IUPAC2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
SMILESCCNC(CSC1CCCC1)c1ccc(OCC)cc1
InChIInChI=1S/C17H27NOS/c1-3-18-17(13-20-16-7-5-6-8-16)14-9-11-15(12-10-14)19-4-2/h9-12,16-18H,3-8,13H2,1-2H3
InChIKeyQYVDBNRHBPEDSB-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.41
Rot. Bonds8

About 2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine

2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine (PubChem CID 64628346) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
PubChem CID64628346
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
SMILESCCNC(CSC1CCCC1)c1ccc(OCC)cc1
InChIInChI=1S/C17H27NOS/c1-3-18-17(13-20-16-7-5-6-8-16)14-9-11-15(12-10-14)19-4-2/h9-12,16-18H,3-8,13H2,1-2H3
InChIKeyQYVDBNRHBPEDSB-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64632442
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64628145
1-(4-ethoxyphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 64625568
2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64634423
2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine
CID 65318326
2-cyclopentylsulfanyl-1-(2,4-dimethoxyphenyl)-N-ethylethanamine
CID 64628618
2-cyclopentylsulfanyl-N-ethyl-1-pyrimidin-5-ylethanamine
CID 65140510
2-cyclopentylsulfanyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64628412
N-[2-cyclopentylsulfanyl-1-(4-propylphenyl)ethyl]propan-1-amine
CID 64628015
2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethanamine
CID 104542586
[2-cyclopentylsulfanyl-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105227501
N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine
CID 64626571

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine (CID 64628346) is 2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine is CCNC(CSC1CCCC1)c1ccc(OCC)cc1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine?
The InChIKey is QYVDBNRHBPEDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-3-18-17(13-20-16-7-5-6-8-16)14-9-11-15(12-10-14)19-4-2/h9-12,16-18H,3-8,13H2,1-2H3.
What are the key properties of 2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine?
2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine has a molecular weight of 293.48 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 64628346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).