1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-ethoxyethanamine

C15H19NOS — CID 116722960

IUPAC1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-ethoxyethanamine
SMILESCCOC(C1CC1)C(N)c1cccc2ccsc12
InChIInChI=1S/C15H19NOS/c1-2-17-14(10-6-7-10)13(16)12-5-3-4-11-8-9-18-15(11)12/h3-5,8-10,13-14H,2,6-7,16H2,1H3
InChIKeyQHZVBOJPCBQODX-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.72
Rot. Bonds5

About 1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-ethoxyethanamine

1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-ethoxyethanamine (PubChem CID 116722960) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-ethoxyethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-ethoxyethanamine
PubChem CID116722960
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-ethoxyethanamine
SMILESCCOC(C1CC1)C(N)c1cccc2ccsc12
InChIInChI=1S/C15H19NOS/c1-2-17-14(10-6-7-10)13(16)12-5-3-4-11-8-9-18-15(11)12/h3-5,8-10,13-14H,2,6-7,16H2,1H3
InChIKeyQHZVBOJPCBQODX-UHFFFAOYSA-N
XLogP3.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-7-yl)-2-methylbutan-1-amine
CID 81154241
1-benzothiophen-7-yl-(3-methylcyclopentyl)methanamine
CID 81153500
1-(1-benzothiophen-7-yl)-2,3-dimethylbutan-1-amine
CID 105022064
[1-(1-benzothiophen-7-yl)-2-ethoxybutyl]hydrazine
CID 105270974
1-benzothiophen-7-yl-(4-propylcyclohexyl)methanol
CID 81154320
2-cyclohexyl-2-ethoxy-1-(2-ethoxyphenyl)ethanamine
CID 116771976
1-benzothiophen-7-yl-(1-ethoxycycloheptyl)methanamine
CID 116770542
2-cyclopropyl-2-ethoxy-1-(furan-2-yl)ethanamine
CID 116723060
1-(3-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxyethanamine
CID 107360324
1-(5-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 116723193
1-(1-benzothiophen-7-yl)-2-methylsulfonylpropan-1-amine
CID 105021997
2-cyclopropyl-2-ethoxy-1-(5-methylthiophen-2-yl)ethanamine
CID 116723225

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-ethoxyethanamine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-ethoxyethanamine (CID 116722960) is 1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-ethoxyethanamine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-ethoxyethanamine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-ethoxyethanamine is CCOC(C1CC1)C(N)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-ethoxyethanamine?
The InChIKey is QHZVBOJPCBQODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-2-17-14(10-6-7-10)13(16)12-5-3-4-11-8-9-18-15(11)12/h3-5,8-10,13-14H,2,6-7,16H2,1H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-ethoxyethanamine?
1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-ethoxyethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-2-cyclopropyl-2-ethoxyethanamine is sourced from PubChem (CID 116722960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).