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

C10H10ClNOS — CID 131190920

IUPAC3-(chloromethyl)-6-methoxy-1-benzothiophen-7-amine
SMILESCOc1ccc2c(CCl)csc2c1N
InChIInChI=1S/C10H10ClNOS/c1-13-8-3-2-7-6(4-11)5-14-10(7)9(8)12/h2-3,5H,4,12H2,1H3
InChIKeySYHVZEWOJHENJQ-UHFFFAOYSA-N
MW227.72 g/mol
LogP3.23
Rot. Bonds2

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

3-(chloromethyl)-6-methoxy-1-benzothiophen-7-amine (PubChem CID 131190920) has the molecular formula C10H10ClNOS and a molecular weight of 227.72 g/mol. Its IUPAC name is 3-(chloromethyl)-6-methoxy-1-benzothiophen-7-amine.

Molecular Properties

Compound Name3-(chloromethyl)-6-methoxy-1-benzothiophen-7-amine
PubChem CID131190920
Molecular FormulaC10H10ClNOS
Molecular Weight227.72 g/mol
Exact Mass227.02
IUPAC Name3-(chloromethyl)-6-methoxy-1-benzothiophen-7-amine
SMILESCOc1ccc2c(CCl)csc2c1N
InChIInChI=1S/C10H10ClNOS/c1-13-8-3-2-7-6(4-11)5-14-10(7)9(8)12/h2-3,5H,4,12H2,1H3
InChIKeySYHVZEWOJHENJQ-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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Related Compounds

7-chloro-3-(chloromethyl)-6-methoxy-1-benzothiophene
CID 131029505
6-(chloromethyl)-3-methoxy-1-benzothiophen-7-amine
CID 131215542
3-(chloromethyl)-6-methylsulfanyl-1-benzothiophen-7-amine
CID 131138200
4-(chloromethyl)-3-methoxy-7-methyl-1-benzothiophene
CID 130898608
methyl 2-(6-methoxy-7-methyl-1-benzothiophen-3-yl)acetate
CID 131734521
7-(chloromethyl)-4-fluoro-3-methoxy-1-benzothiophene
CID 131146423
7-(chloromethyl)-3-methoxy-1-benzothiophene-6-thiol
CID 131146664
7-(chloromethyl)-4-methoxy-2-methyl-1-benzothiophene
CID 130985677
[3-(chloromethyl)-4-methoxyphenyl]hydrazine
CID 130950896
7-amino-3-(hydroxymethyl)-1-benzothiophene-6-carbonitrile
CID 131080388
8-amino-7-methoxychromen-4-one
CID 10352531
5-(chloromethyl)-3-fluoro-6-methoxy-1-benzothiophene
CID 130840050

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-methoxy-1-benzothiophen-7-amine?
The IUPAC name of 3-(chloromethyl)-6-methoxy-1-benzothiophen-7-amine (CID 131190920) is 3-(chloromethyl)-6-methoxy-1-benzothiophen-7-amine.
What is the SMILES notation for 3-(chloromethyl)-6-methoxy-1-benzothiophen-7-amine?
The canonical SMILES for 3-(chloromethyl)-6-methoxy-1-benzothiophen-7-amine is COc1ccc2c(CCl)csc2c1N.
What is the InChIKey of 3-(chloromethyl)-6-methoxy-1-benzothiophen-7-amine?
The InChIKey is SYHVZEWOJHENJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNOS/c1-13-8-3-2-7-6(4-11)5-14-10(7)9(8)12/h2-3,5H,4,12H2,1H3.
What are the key properties of 3-(chloromethyl)-6-methoxy-1-benzothiophen-7-amine?
3-(chloromethyl)-6-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 3-(chloromethyl)-6-methoxy-1-benzothiophen-7-amine is sourced from PubChem (CID 131190920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).