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

C10H11NOS — CID 130050630

IUPAC(7-methoxy-1-benzothiophen-5-yl)methanamine
SMILESCOc1cc(CN)cc2ccsc12
InChIInChI=1S/C10H11NOS/c1-12-9-5-7(6-11)4-8-2-3-13-10(8)9/h2-5H,6,11H2,1H3
InChIKeyPCFCKCKFAGVFSF-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.37
Rot. Bonds2

About (7-methoxy-1-benzothiophen-5-yl)methanamine

(7-methoxy-1-benzothiophen-5-yl)methanamine (PubChem CID 130050630) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is (7-methoxy-1-benzothiophen-5-yl)methanamine.

Molecular Properties

Compound Name(7-methoxy-1-benzothiophen-5-yl)methanamine
PubChem CID130050630
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name(7-methoxy-1-benzothiophen-5-yl)methanamine
SMILESCOc1cc(CN)cc2ccsc12
InChIInChI=1S/C10H11NOS/c1-12-9-5-7(6-11)4-8-2-3-13-10(8)9/h2-5H,6,11H2,1H3
InChIKeyPCFCKCKFAGVFSF-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

5-(chloromethyl)-7-methoxy-1-benzothiophene
CID 130050629
(7-methoxy-1-benzothiophen-5-yl)methanol
CID 130050628
5-fluoro-7-methoxy-1-benzothiophene
CID 22171159
6-(bromomethyl)-7-iodo-5-methoxy-1-benzothiophene
CID 130855156
5-(chloromethyl)-7-methoxy-1-benzothiophene;5-ethyl-1-benzothiophen-7-ol;methyl 7-methoxy-1-benzothiophene-5-carboxylate
CID 167541866
6-iodo-5-methoxy-7-methylsulfanyl-1-benzothiophene
CID 131219142
(4-chloro-3-methoxyphenyl)methanamine;hydrochloride
CID 19701901
(7-methoxy-1-benzothiophen-6-yl)methanamine
CID 82605317
6-(chloromethyl)-5-methoxy-1-benzothiophen-7-ol
CID 131195864
4-iodo-7-methoxy-1-benzothiophen-5-amine
CID 130788772
(7-methoxy-1H-indazol-5-yl)methanamine
CID 82599475
2-(5-methoxy-1-benzothiophen-6-yl)ethanamine
CID 96590249

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1-benzothiophen-5-yl)methanamine?
The IUPAC name of (7-methoxy-1-benzothiophen-5-yl)methanamine (CID 130050630) is (7-methoxy-1-benzothiophen-5-yl)methanamine.
What is the SMILES notation for (7-methoxy-1-benzothiophen-5-yl)methanamine?
The canonical SMILES for (7-methoxy-1-benzothiophen-5-yl)methanamine is COc1cc(CN)cc2ccsc12.
What is the InChIKey of (7-methoxy-1-benzothiophen-5-yl)methanamine?
The InChIKey is PCFCKCKFAGVFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-12-9-5-7(6-11)4-8-2-3-13-10(8)9/h2-5H,6,11H2,1H3.
What are the key properties of (7-methoxy-1-benzothiophen-5-yl)methanamine?
(7-methoxy-1-benzothiophen-5-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-5-yl)methanamine is sourced from PubChem (CID 130050630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).