1-cyclopentyl-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine

C17H27NOS — CID 83985560

IUPAC1-cyclopentyl-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
SMILESCCOC1CCCc2sc(CC(N)C3CCCC3)cc21
InChIInChI=1S/C17H27NOS/c1-2-19-16-8-5-9-17-14(16)10-13(20-17)11-15(18)12-6-3-4-7-12/h10,12,15-16H,2-9,11,18H2,1H3
InChIKeyDHKLMQWLKLMKCW-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.22
Rot. Bonds5

About 1-cyclopentyl-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine

1-cyclopentyl-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine (PubChem CID 83985560) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 1-cyclopentyl-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
PubChem CID83985560
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name1-cyclopentyl-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
SMILESCCOC1CCCc2sc(CC(N)C3CCCC3)cc21
InChIInChI=1S/C17H27NOS/c1-2-19-16-8-5-9-17-14(16)10-13(20-17)11-15(18)12-6-3-4-7-12/h10,12,15-16H,2-9,11,18H2,1H3
InChIKeyDHKLMQWLKLMKCW-UHFFFAOYSA-N
XLogP4.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-3-amine
CID 83985556
1-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 83985562
N-cyclopropyl-2-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 83910674
4-[bis(4-ethoxy-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methyl]-N,N-dimethylaniline
CID 12989630
2-[2-(methylamino)propyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-ol
CID 83985729
2-(5-chlorothiophen-2-yl)-1-cycloheptylethanamine
CID 65398933
3-methyl-1-[4-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]butan-2-amine
CID 83985769
1-(2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)ethanamine
CID 112715447
2,2,2-trifluoro-N-[2-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]ethanamine
CID 83985507
1-cyclopentyl-2-(1,3-thiazol-5-yl)ethanamine
CID 82399288
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanamine
CID 60865346
1-cyclopentyl-2-phenylethanamine
CID 50988646

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of 1-cyclopentyl-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine (CID 83985560) is 1-cyclopentyl-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for 1-cyclopentyl-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for 1-cyclopentyl-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine is CCOC1CCCc2sc(CC(N)C3CCCC3)cc21.
What is the InChIKey of 1-cyclopentyl-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
The InChIKey is DHKLMQWLKLMKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-2-19-16-8-5-9-17-14(16)10-13(20-17)11-15(18)12-6-3-4-7-12/h10,12,15-16H,2-9,11,18H2,1H3.
What are the key properties of 1-cyclopentyl-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
1-cyclopentyl-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine has a molecular weight of 293.48 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 83985560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).