2-cyclopentylsulfanyl-1-(2,4-dimethoxyphenyl)-N-ethylethanamine

C17H27NO2S — CID 64628618

IUPAC2-cyclopentylsulfanyl-1-(2,4-dimethoxyphenyl)-N-ethylethanamine
SMILESCCNC(CSC1CCCC1)c1ccc(OC)cc1OC
InChIInChI=1S/C17H27NO2S/c1-4-18-16(12-21-14-7-5-6-8-14)15-10-9-13(19-2)11-17(15)20-3/h9-11,14,16,18H,4-8,12H2,1-3H3
InChIKeyIOXMDDXKTDZJBT-UHFFFAOYSA-N
MW309.48 g/mol
LogP4.03
Rot. Bonds8

About 2-cyclopentylsulfanyl-1-(2,4-dimethoxyphenyl)-N-ethylethanamine

2-cyclopentylsulfanyl-1-(2,4-dimethoxyphenyl)-N-ethylethanamine (PubChem CID 64628618) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(2,4-dimethoxyphenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(2,4-dimethoxyphenyl)-N-ethylethanamine
PubChem CID64628618
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC Name2-cyclopentylsulfanyl-1-(2,4-dimethoxyphenyl)-N-ethylethanamine
SMILESCCNC(CSC1CCCC1)c1ccc(OC)cc1OC
InChIInChI=1S/C17H27NO2S/c1-4-18-16(12-21-14-7-5-6-8-14)15-10-9-13(19-2)11-17(15)20-3/h9-11,14,16,18H,4-8,12H2,1-3H3
InChIKeyIOXMDDXKTDZJBT-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine
CID 65318326
2-cyclopentylsulfanyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64628412
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64628145
1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64615524
2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64628346
2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64632442
1-(2,4-dimethoxyphenyl)-N-ethyl-2-pentylsulfanylethanamine
CID 107763149
1-(2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103546709
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 65144292
1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 55112186
1-(2,4-dimethoxyphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 115346589
2-cyclohexylsulfanyl-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65144633

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(2,4-dimethoxyphenyl)-N-ethylethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-1-(2,4-dimethoxyphenyl)-N-ethylethanamine (CID 64628618) is 2-cyclopentylsulfanyl-1-(2,4-dimethoxyphenyl)-N-ethylethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(2,4-dimethoxyphenyl)-N-ethylethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(2,4-dimethoxyphenyl)-N-ethylethanamine is CCNC(CSC1CCCC1)c1ccc(OC)cc1OC.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(2,4-dimethoxyphenyl)-N-ethylethanamine?
The InChIKey is IOXMDDXKTDZJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-4-18-16(12-21-14-7-5-6-8-14)15-10-9-13(19-2)11-17(15)20-3/h9-11,14,16,18H,4-8,12H2,1-3H3.
What are the key properties of 2-cyclopentylsulfanyl-1-(2,4-dimethoxyphenyl)-N-ethylethanamine?
2-cyclopentylsulfanyl-1-(2,4-dimethoxyphenyl)-N-ethylethanamine has a molecular weight of 309.48 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(2,4-dimethoxyphenyl)-N-ethylethanamine is sourced from PubChem (CID 64628618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).