(5-methoxy-1-benzothiophen-2-yl)methanamine

C10H11NOS — CID 82605307

IUPAC(5-methoxy-1-benzothiophen-2-yl)methanamine
SMILESCOc1ccc2sc(CN)cc2c1
InChIInChI=1S/C10H11NOS/c1-12-8-2-3-10-7(4-8)5-9(6-11)13-10/h2-5H,6,11H2,1H3
InChIKeyXXPRUNDOLQJIEQ-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.37
Rot. Bonds2

About (5-methoxy-1-benzothiophen-2-yl)methanamine

(5-methoxy-1-benzothiophen-2-yl)methanamine (PubChem CID 82605307) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is (5-methoxy-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-methoxy-1-benzothiophen-2-yl)methanamine
PubChem CID82605307
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name(5-methoxy-1-benzothiophen-2-yl)methanamine
SMILESCOc1ccc2sc(CN)cc2c1
InChIInChI=1S/C10H11NOS/c1-12-8-2-3-10-7(4-8)5-9(6-11)13-10/h2-5H,6,11H2,1H3
InChIKeyXXPRUNDOLQJIEQ-UHFFFAOYSA-N
XLogP2.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethoxy-1-benzothiophene
CID 69101358
(5-tert-butyl-1-benzothiophen-2-yl)methanamine
CID 84740294
2-bromo-5-methoxy-1-benzothiophene
CID 74891301
1-benzothiophen-2-ylmethanamine;hydroiodide
CID 175928794
5-fluoro-2-[(4-methoxyphenoxy)methyl]-1-benzothiophene
CID 117176407
[2-(methoxymethyl)-1-benzothiophen-5-yl]methanamine
CID 117176290
5-methoxy-2-[(5-methoxy-1-benzothiophen-2-yl)sulfinyl]-1-benzothiophene
CID 170556365
3-[(5-methoxy-1-benzothiophen-2-yl)methylamino]butanoic acid
CID 166263775
N-[2-(aminomethyl)-1-benzothiophen-5-yl]acetamide
CID 119087583
5-(5-methoxy-1-benzothiophen-2-yl)-1H-pyrazol-3-amine
CID 115109988
[4-(5-methoxy-1,3-benzothiazol-2-yl)phenyl]methanamine
CID 170352699
3-(5-methoxy-1-benzothiophen-2-yl)butanoic acid
CID 115004521

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1-benzothiophen-2-yl)methanamine?
The IUPAC name of (5-methoxy-1-benzothiophen-2-yl)methanamine (CID 82605307) is (5-methoxy-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for (5-methoxy-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for (5-methoxy-1-benzothiophen-2-yl)methanamine is COc1ccc2sc(CN)cc2c1.
What is the InChIKey of (5-methoxy-1-benzothiophen-2-yl)methanamine?
The InChIKey is XXPRUNDOLQJIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-12-8-2-3-10-7(4-8)5-9(6-11)13-10/h2-5H,6,11H2,1H3.
What are the key properties of (5-methoxy-1-benzothiophen-2-yl)methanamine?
(5-methoxy-1-benzothiophen-2-yl)methanamine has a molecular weight of 193.27 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 82605307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).