2-(5-methoxy-1-benzothiophen-6-yl)ethanamine

C11H13NOS — CID 96590249

IUPAC2-(5-methoxy-1-benzothiophen-6-yl)ethanamine
SMILESCOc1cc2ccsc2cc1CCN
InChIInChI=1S/C11H13NOS/c1-13-10-6-9-3-5-14-11(9)7-8(10)2-4-12/h3,5-7H,2,4,12H2,1H3
InChIKeyQZOULEDRVATLDB-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.41
Rot. Bonds3

About 2-(5-methoxy-1-benzothiophen-6-yl)ethanamine

2-(5-methoxy-1-benzothiophen-6-yl)ethanamine (PubChem CID 96590249) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-(5-methoxy-1-benzothiophen-6-yl)ethanamine.

Molecular Properties

Compound Name2-(5-methoxy-1-benzothiophen-6-yl)ethanamine
PubChem CID96590249
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name2-(5-methoxy-1-benzothiophen-6-yl)ethanamine
SMILESCOc1cc2ccsc2cc1CCN
InChIInChI=1S/C11H13NOS/c1-13-10-6-9-3-5-14-11(9)7-8(10)2-4-12/h3,5-7H,2,4,12H2,1H3
InChIKeyQZOULEDRVATLDB-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methyl-1-benzothiophen-5-yl)ethanamine
CID 82374408
2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493307
5-(difluoromethoxy)-6-methoxy-1-benzothiophene
CID 70054930
2,5-bis(2-aminoethyl)-4-methoxyphenol
CID 117274744
2-(4-fluoro-2-methoxyphenyl)ethanamine
CID 55254856
2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656
2-(5-methoxy-1-methylindazol-6-yl)ethanamine
CID 135381626
2-(6-methoxy-1-benzofuran-5-yl)ethanamine;hydrochloride
CID 135381759
2-(4-chloro-5-fluoro-2-methoxyphenyl)ethanamine
CID 83881713
2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine
CID 57498513
2-[4-fluoro-2,5-bis(trideuteriomethoxy)phenyl]ethanamine
CID 169440593
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-benzothiophen-6-yl)ethanamine?
The IUPAC name of 2-(5-methoxy-1-benzothiophen-6-yl)ethanamine (CID 96590249) is 2-(5-methoxy-1-benzothiophen-6-yl)ethanamine.
What is the SMILES notation for 2-(5-methoxy-1-benzothiophen-6-yl)ethanamine?
The canonical SMILES for 2-(5-methoxy-1-benzothiophen-6-yl)ethanamine is COc1cc2ccsc2cc1CCN.
What is the InChIKey of 2-(5-methoxy-1-benzothiophen-6-yl)ethanamine?
The InChIKey is QZOULEDRVATLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-13-10-6-9-3-5-14-11(9)7-8(10)2-4-12/h3,5-7H,2,4,12H2,1H3.
What are the key properties of 2-(5-methoxy-1-benzothiophen-6-yl)ethanamine?
2-(5-methoxy-1-benzothiophen-6-yl)ethanamine has a molecular weight of 207.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-benzothiophen-6-yl)ethanamine is sourced from PubChem (CID 96590249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).