1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine

C13H17NOS — CID 114983148

IUPAC1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNC(C)c1cc2ccccc2s1
InChIInChI=1S/C13H17NOS/c1-10(14-7-8-15-2)13-9-11-5-3-4-6-12(11)16-13/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyJAEWVMNTKVXZPB-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.20
Rot. Bonds5

About 1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine

1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine (PubChem CID 114983148) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
PubChem CID114983148
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNC(C)c1cc2ccccc2s1
InChIInChI=1S/C13H17NOS/c1-10(14-7-8-15-2)13-9-11-5-3-4-6-12(11)16-13/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyJAEWVMNTKVXZPB-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine
CID 114983145
1-(1-benzothiophen-2-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine
CID 102613050
5-[1-(1-benzothiophen-2-yl)ethylamino]pentan-1-ol
CID 104579334
1-(1-benzothiophen-2-yl)-N-methoxyethanamine
CID 114910021
1-(1-benzothiophen-2-yl)-N-[2-(4-chlorophenyl)ethyl]ethanamine
CID 114909642
N-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine
CID 104579324
1-(1-benzothiophen-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 114909896
3-[2-[1-(1-benzothiophen-2-yl)ethylamino]ethyl]-1,1-dimethylurea
CID 114910040
1-(1-benzothiophen-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 114909795
1-(1-benzothiophen-2-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 104579268
1-(1-benzothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 115617554
1-(1-benzothiophen-2-yl)-2-methoxy-N-methylethanamine
CID 105009029

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine (CID 114983148) is 1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine is COCCNC(C)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is JAEWVMNTKVXZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-10(14-7-8-15-2)13-9-11-5-3-4-6-12(11)16-13/h3-6,9-10,14H,7-8H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine?
1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 235.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 114983148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).