[2-(methoxymethyl)-1-benzothiophen-5-yl]methanamine

C11H13NOS — CID 117176290

IUPAC[2-(methoxymethyl)-1-benzothiophen-5-yl]methanamine
SMILESCOCc1cc2cc(CN)ccc2s1
InChIInChI=1S/C11H13NOS/c1-13-7-10-5-9-4-8(6-12)2-3-11(9)14-10/h2-5H,6-7,12H2,1H3
InChIKeyFEPVFALIUCXKMJ-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.51
Rot. Bonds3

About [2-(methoxymethyl)-1-benzothiophen-5-yl]methanamine

[2-(methoxymethyl)-1-benzothiophen-5-yl]methanamine (PubChem CID 117176290) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is [2-(methoxymethyl)-1-benzothiophen-5-yl]methanamine.

Molecular Properties

Compound Name[2-(methoxymethyl)-1-benzothiophen-5-yl]methanamine
PubChem CID117176290
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name[2-(methoxymethyl)-1-benzothiophen-5-yl]methanamine
SMILESCOCc1cc2cc(CN)ccc2s1
InChIInChI=1S/C11H13NOS/c1-13-7-10-5-9-4-8(6-12)2-3-11(9)14-10/h2-5H,6-7,12H2,1H3
InChIKeyFEPVFALIUCXKMJ-UHFFFAOYSA-N
XLogP2.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-1-benzothiophen-5-yl]methanamine?
The IUPAC name of [2-(methoxymethyl)-1-benzothiophen-5-yl]methanamine (CID 117176290) is [2-(methoxymethyl)-1-benzothiophen-5-yl]methanamine.
What is the SMILES notation for [2-(methoxymethyl)-1-benzothiophen-5-yl]methanamine?
The canonical SMILES for [2-(methoxymethyl)-1-benzothiophen-5-yl]methanamine is COCc1cc2cc(CN)ccc2s1.
What is the InChIKey of [2-(methoxymethyl)-1-benzothiophen-5-yl]methanamine?
The InChIKey is FEPVFALIUCXKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-13-7-10-5-9-4-8(6-12)2-3-11(9)14-10/h2-5H,6-7,12H2,1H3.
What are the key properties of [2-(methoxymethyl)-1-benzothiophen-5-yl]methanamine?
[2-(methoxymethyl)-1-benzothiophen-5-yl]methanamine has a molecular weight of 207.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)-1-benzothiophen-5-yl]methanamine is sourced from PubChem (CID 117176290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).