1-(1-benzothiophen-3-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine

C18H25NOS — CID 103162918

IUPAC1-(1-benzothiophen-3-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
SMILESCCNC(CC1CC(OCC)C1)c1csc2ccccc12
InChIInChI=1S/C18H25NOS/c1-3-19-17(11-13-9-14(10-13)20-4-2)16-12-21-18-8-6-5-7-15(16)18/h5-8,12-14,17,19H,3-4,9-11H2,1-2H3
InChIKeyGVSVKAUUBZTSFY-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.76
Rot. Bonds7

About 1-(1-benzothiophen-3-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine

1-(1-benzothiophen-3-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine (PubChem CID 103162918) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
PubChem CID103162918
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name1-(1-benzothiophen-3-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
SMILESCCNC(CC1CC(OCC)C1)c1csc2ccccc12
InChIInChI=1S/C18H25NOS/c1-3-19-17(11-13-9-14(10-13)20-4-2)16-12-21-18-8-6-5-7-15(16)18/h5-8,12-14,17,19H,3-4,9-11H2,1-2H3
InChIKeyGVSVKAUUBZTSFY-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxycyclobutyl)-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 103168605
1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine
CID 43492291
1-(1-benzothiophen-3-yl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 43492319
1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine
CID 115863679
N-[2-(3-ethoxycyclobutyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 103168245
1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine
CID 65386100
1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine
CID 43485761
1-(1-benzothiophen-3-yl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 43492316
1-(1-benzothiophen-3-yl)-N-ethylprop-2-en-1-amine
CID 105001023
1-(1-benzothiophen-3-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 43492293
2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 103162901
1-(1-benzothiophen-3-yl)-N,3-diethylheptan-1-amine
CID 115806692

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine (CID 103162918) is 1-(1-benzothiophen-3-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine is CCNC(CC1CC(OCC)C1)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine?
The InChIKey is GVSVKAUUBZTSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-3-19-17(11-13-9-14(10-13)20-4-2)16-12-21-18-8-6-5-7-15(16)18/h5-8,12-14,17,19H,3-4,9-11H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine?
1-(1-benzothiophen-3-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine has a molecular weight of 303.47 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine is sourced from PubChem (CID 103162918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).