(7-methoxy-1-benzothiophen-6-yl)methanamine

C10H11NOS — CID 82605317

IUPAC(7-methoxy-1-benzothiophen-6-yl)methanamine
SMILESCOc1c(CN)ccc2ccsc12
InChIInChI=1S/C10H11NOS/c1-12-9-8(6-11)3-2-7-4-5-13-10(7)9/h2-5H,6,11H2,1H3
InChIKeyPCILBLLBWOWIHE-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.37
Rot. Bonds2

About (7-methoxy-1-benzothiophen-6-yl)methanamine

(7-methoxy-1-benzothiophen-6-yl)methanamine (PubChem CID 82605317) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is (7-methoxy-1-benzothiophen-6-yl)methanamine.

Molecular Properties

Compound Name(7-methoxy-1-benzothiophen-6-yl)methanamine
PubChem CID82605317
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name(7-methoxy-1-benzothiophen-6-yl)methanamine
SMILESCOc1c(CN)ccc2ccsc12
InChIInChI=1S/C10H11NOS/c1-12-9-8(6-11)3-2-7-4-5-13-10(7)9/h2-5H,6,11H2,1H3
InChIKeyPCILBLLBWOWIHE-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

6,7-dimethoxy-1-benzothiophene
CID 23321121
2-(7-methyl-1-benzothiophen-6-yl)ethanamine
CID 96590495
5-(bromomethyl)-7-methoxy-1-benzothiophen-6-ol
CID 130956494
(7-methoxy-1-benzothiophen-5-yl)methanamine
CID 130050630
5-fluoro-7-methoxy-1-benzothiophene-6-thiol
CID 131150647
7-fluoro-6-methoxy-1-benzothiophene
CID 83915045
7-bromo-5-(chloromethyl)-6-methoxy-1-benzothiophene
CID 130821104
3-(aminomethyl)-6-bromo-2-methoxyphenol
CID 117335662
7-ethyl-4-methoxy-1-benzothiophen-5-amine
CID 130788703
4,6-diiodo-7-methoxy-1-benzothiophene
CID 130926208
(3-bromo-2-methoxyphenyl)methanamine;hydrochloride
CID 71755622
4,7-dimethoxy-1-benzothiophene
CID 11095506

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1-benzothiophen-6-yl)methanamine?
The IUPAC name of (7-methoxy-1-benzothiophen-6-yl)methanamine (CID 82605317) is (7-methoxy-1-benzothiophen-6-yl)methanamine.
What is the SMILES notation for (7-methoxy-1-benzothiophen-6-yl)methanamine?
The canonical SMILES for (7-methoxy-1-benzothiophen-6-yl)methanamine is COc1c(CN)ccc2ccsc12.
What is the InChIKey of (7-methoxy-1-benzothiophen-6-yl)methanamine?
The InChIKey is PCILBLLBWOWIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-12-9-8(6-11)3-2-7-4-5-13-10(7)9/h2-5H,6,11H2,1H3.
What are the key properties of (7-methoxy-1-benzothiophen-6-yl)methanamine?
(7-methoxy-1-benzothiophen-6-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 (7-methoxy-1-benzothiophen-6-yl)methanamine is sourced from PubChem (CID 82605317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).