[2-(ethoxymethyl)-1-benzothiophen-6-yl]methanamine

C12H15NOS — CID 117179712

IUPAC[2-(ethoxymethyl)-1-benzothiophen-6-yl]methanamine
SMILESCCOCc1cc2ccc(CN)cc2s1
InChIInChI=1S/C12H15NOS/c1-2-14-8-11-6-10-4-3-9(7-13)5-12(10)15-11/h3-6H,2,7-8,13H2,1H3
InChIKeyHYHIGAKMTJCCBT-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.90
Rot. Bonds4

About [2-(ethoxymethyl)-1-benzothiophen-6-yl]methanamine

[2-(ethoxymethyl)-1-benzothiophen-6-yl]methanamine (PubChem CID 117179712) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is [2-(ethoxymethyl)-1-benzothiophen-6-yl]methanamine.

Molecular Properties

Compound Name[2-(ethoxymethyl)-1-benzothiophen-6-yl]methanamine
PubChem CID117179712
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name[2-(ethoxymethyl)-1-benzothiophen-6-yl]methanamine
SMILESCCOCc1cc2ccc(CN)cc2s1
InChIInChI=1S/C12H15NOS/c1-2-14-8-11-6-10-4-3-9(7-13)5-12(10)15-11/h3-6H,2,7-8,13H2,1H3
InChIKeyHYHIGAKMTJCCBT-UHFFFAOYSA-N
XLogP2.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(ethoxymethyl)-1-benzothiophen-6-yl]methanamine?
The IUPAC name of [2-(ethoxymethyl)-1-benzothiophen-6-yl]methanamine (CID 117179712) is [2-(ethoxymethyl)-1-benzothiophen-6-yl]methanamine.
What is the SMILES notation for [2-(ethoxymethyl)-1-benzothiophen-6-yl]methanamine?
The canonical SMILES for [2-(ethoxymethyl)-1-benzothiophen-6-yl]methanamine is CCOCc1cc2ccc(CN)cc2s1.
What is the InChIKey of [2-(ethoxymethyl)-1-benzothiophen-6-yl]methanamine?
The InChIKey is HYHIGAKMTJCCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-2-14-8-11-6-10-4-3-9(7-13)5-12(10)15-11/h3-6H,2,7-8,13H2,1H3.
What are the key properties of [2-(ethoxymethyl)-1-benzothiophen-6-yl]methanamine?
[2-(ethoxymethyl)-1-benzothiophen-6-yl]methanamine has a molecular weight of 221.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxymethyl)-1-benzothiophen-6-yl]methanamine is sourced from PubChem (CID 117179712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).