1-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-3-amine

C15H25NOS — CID 83985556

IUPAC1-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-3-amine
SMILESCCOC1CCCc2sc(CCC(N)CC)cc21
InChIInChI=1S/C15H25NOS/c1-3-11(16)8-9-12-10-13-14(17-4-2)6-5-7-15(13)18-12/h10-11,14H,3-9,16H2,1-2H3
InChIKeyZAJHFXDDRXGTAE-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.83
Rot. Bonds6

About 1-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-3-amine

1-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-3-amine (PubChem CID 83985556) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-3-amine.

Molecular Properties

Compound Name1-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-3-amine
PubChem CID83985556
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name1-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-3-amine
SMILESCCOC1CCCc2sc(CCC(N)CC)cc21
InChIInChI=1S/C15H25NOS/c1-3-11(16)8-9-12-10-13-14(17-4-2)6-5-7-15(13)18-12/h10-11,14H,3-9,16H2,1-2H3
InChIKeyZAJHFXDDRXGTAE-UHFFFAOYSA-N
XLogP3.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-2-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 83985560
1-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 83985562
2,2,2-trifluoro-N-[2-(4-methoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]ethanamine
CID 83985507
1-(2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)ethanamine
CID 112715447
4-[bis(4-ethoxy-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methyl]-N,N-dimethylaniline
CID 12989630
N-cyclopropyl-2-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 83910674
2-[2-(methylamino)propyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-ol
CID 83985729
2-chloro-N-(3-methylpentan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690469
1-ethoxy-6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 167462559
3-methyl-1-[4-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]butan-2-amine
CID 83985769
2-(2-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)ethanamine
CID 83907867
2-propan-2-yl-4,5,6,7-tetrahydro-1-benzothiophen-4-ol
CID 89057608

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-3-amine?
The IUPAC name of 1-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-3-amine (CID 83985556) is 1-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-3-amine.
What is the SMILES notation for 1-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-3-amine?
The canonical SMILES for 1-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-3-amine is CCOC1CCCc2sc(CCC(N)CC)cc21.
What is the InChIKey of 1-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-3-amine?
The InChIKey is ZAJHFXDDRXGTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-3-11(16)8-9-12-10-13-14(17-4-2)6-5-7-15(13)18-12/h10-11,14H,3-9,16H2,1-2H3.
What are the key properties of 1-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-3-amine?
1-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-3-amine has a molecular weight of 267.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-3-amine is sourced from PubChem (CID 83985556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).