2-methoxy-6-methyl-1-benzothiophen-5-amine

C10H11NOS — CID 130885316

IUPAC2-methoxy-6-methyl-1-benzothiophen-5-amine
SMILESCOc1cc2cc(N)c(C)cc2s1
InChIInChI=1S/C10H11NOS/c1-6-3-9-7(4-8(6)11)5-10(12-2)13-9/h3-5H,11H2,1-2H3
InChIKeyZKJAMCURGYKWPD-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.80
Rot. Bonds1

About 2-methoxy-6-methyl-1-benzothiophen-5-amine

2-methoxy-6-methyl-1-benzothiophen-5-amine (PubChem CID 130885316) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-methoxy-6-methyl-1-benzothiophen-5-amine.

Molecular Properties

Compound Name2-methoxy-6-methyl-1-benzothiophen-5-amine
PubChem CID130885316
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name2-methoxy-6-methyl-1-benzothiophen-5-amine
SMILESCOc1cc2cc(N)c(C)cc2s1
InChIInChI=1S/C10H11NOS/c1-6-3-9-7(4-8(6)11)5-10(12-2)13-9/h3-5H,11H2,1-2H3
InChIKeyZKJAMCURGYKWPD-UHFFFAOYSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-methyl-1-benzothiophen-2-ol
CID 130788839
6-amino-2-methoxy-1-benzothiophene-5-carbonitrile
CID 131033940
5-bromo-2-methoxy-1-benzothiophen-6-ol
CID 130970005
6-amino-5-methyl-1-benzothiophen-2-ol
CID 130788844
2,5-dimethoxy-1-benzothiophene
CID 69101358
2,6-dimethyl-1,3-benzothiazol-5-amine
CID 46912036
6-ethyl-5-iodo-2-methoxy-1-benzothiophene
CID 130855342
7-fluoro-2-methoxy-1-benzothiophen-6-amine
CID 130956275
7-amino-2-methoxy-1-benzothiophene-5-thiol
CID 131123892
6-(chloromethyl)-5-fluoro-2-methoxy-1-benzothiophene
CID 131034414
3-methyltetracen-2-amine
CID 154953105
6,16-dimethoxy-7,17-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3(11),4(8),5,9,12,14(18),15,19-nonaene
CID 58426675

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-1-benzothiophen-5-amine?
The IUPAC name of 2-methoxy-6-methyl-1-benzothiophen-5-amine (CID 130885316) is 2-methoxy-6-methyl-1-benzothiophen-5-amine.
What is the SMILES notation for 2-methoxy-6-methyl-1-benzothiophen-5-amine?
The canonical SMILES for 2-methoxy-6-methyl-1-benzothiophen-5-amine is COc1cc2cc(N)c(C)cc2s1.
What is the InChIKey of 2-methoxy-6-methyl-1-benzothiophen-5-amine?
The InChIKey is ZKJAMCURGYKWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-6-3-9-7(4-8(6)11)5-10(12-2)13-9/h3-5H,11H2,1-2H3.
What are the key properties of 2-methoxy-6-methyl-1-benzothiophen-5-amine?
2-methoxy-6-methyl-1-benzothiophen-5-amine has a molecular weight of 193.27 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-1-benzothiophen-5-amine is sourced from PubChem (CID 130885316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).