2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine

C16H25NOS — CID 64628145

IUPAC2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
SMILESCCNC(CSC1CCCC1)c1ccc(OC)cc1
InChIInChI=1S/C16H25NOS/c1-3-17-16(12-19-15-6-4-5-7-15)13-8-10-14(18-2)11-9-13/h8-11,15-17H,3-7,12H2,1-2H3
InChIKeyJCABOHIWQHGYFU-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.02
Rot. Bonds7

About 2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine

2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine (PubChem CID 64628145) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
PubChem CID64628145
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
SMILESCCNC(CSC1CCCC1)c1ccc(OC)cc1
InChIInChI=1S/C16H25NOS/c1-3-17-16(12-19-15-6-4-5-7-15)13-8-10-14(18-2)11-9-13/h8-11,15-17H,3-7,12H2,1-2H3
InChIKeyJCABOHIWQHGYFU-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64628346
2-cyclohexylsulfanyl-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 64632442
[2-cyclopentylsulfanyl-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105227501
2-cyclopentylsulfanyl-1-(2,4-dimethoxyphenyl)-N-ethylethanamine
CID 64628618
2-cyclohexylsulfanyl-N-ethyl-1-(4-methoxy-2-methylphenyl)ethanamine
CID 65318326
1-(4-ethoxyphenyl)-N-ethyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 64625568
2-cyclohexylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64634423
2-cyclopentylsulfanyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64628412
2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 65458581
2-cyclopentylsulfanyl-N-ethyl-1-pyrimidin-5-ylethanamine
CID 65140510
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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine (CID 64628145) is 2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine is CCNC(CSC1CCCC1)c1ccc(OC)cc1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine?
The InChIKey is JCABOHIWQHGYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-3-17-16(12-19-15-6-4-5-7-15)13-8-10-14(18-2)11-9-13/h8-11,15-17H,3-7,12H2,1-2H3.
What are the key properties of 2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine?
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine has a molecular weight of 279.45 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 64628145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).