6-(chloromethyl)-3-methoxy-1-benzothiophen-7-amine

C10H10ClNOS — CID 131215542

IUPAC6-(chloromethyl)-3-methoxy-1-benzothiophen-7-amine
SMILESCOc1csc2c(N)c(CCl)ccc12
InChIInChI=1S/C10H10ClNOS/c1-13-8-5-14-10-7(8)3-2-6(4-11)9(10)12/h2-3,5H,4,12H2,1H3
InChIKeyFYZYEEXAZLIIMX-UHFFFAOYSA-N
MW227.72 g/mol
LogP3.23
Rot. Bonds2

About 6-(chloromethyl)-3-methoxy-1-benzothiophen-7-amine

6-(chloromethyl)-3-methoxy-1-benzothiophen-7-amine (PubChem CID 131215542) has the molecular formula C10H10ClNOS and a molecular weight of 227.72 g/mol. Its IUPAC name is 6-(chloromethyl)-3-methoxy-1-benzothiophen-7-amine.

Molecular Properties

Compound Name6-(chloromethyl)-3-methoxy-1-benzothiophen-7-amine
PubChem CID131215542
Molecular FormulaC10H10ClNOS
Molecular Weight227.72 g/mol
Exact Mass227.02
IUPAC Name6-(chloromethyl)-3-methoxy-1-benzothiophen-7-amine
SMILESCOc1csc2c(N)c(CCl)ccc12
InChIInChI=1S/C10H10ClNOS/c1-13-8-5-14-10-7(8)3-2-6(4-11)9(10)12/h2-3,5H,4,12H2,1H3
InChIKeyFYZYEEXAZLIIMX-UHFFFAOYSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-3-methoxy-1-benzothiophen-7-amine?
The IUPAC name of 6-(chloromethyl)-3-methoxy-1-benzothiophen-7-amine (CID 131215542) is 6-(chloromethyl)-3-methoxy-1-benzothiophen-7-amine.
What is the SMILES notation for 6-(chloromethyl)-3-methoxy-1-benzothiophen-7-amine?
The canonical SMILES for 6-(chloromethyl)-3-methoxy-1-benzothiophen-7-amine is COc1csc2c(N)c(CCl)ccc12.
What is the InChIKey of 6-(chloromethyl)-3-methoxy-1-benzothiophen-7-amine?
The InChIKey is FYZYEEXAZLIIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNOS/c1-13-8-5-14-10-7(8)3-2-6(4-11)9(10)12/h2-3,5H,4,12H2,1H3.
What are the key properties of 6-(chloromethyl)-3-methoxy-1-benzothiophen-7-amine?
6-(chloromethyl)-3-methoxy-1-benzothiophen-7-amine has a molecular weight of 227.72 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-3-methoxy-1-benzothiophen-7-amine is sourced from PubChem (CID 131215542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).