2-(1-benzothiophen-2-yl)-5-methoxyaniline

C15H13NOS — CID 24827981

IUPAC2-(1-benzothiophen-2-yl)-5-methoxyaniline
SMILESCOc1ccc(-c2cc3ccccc3s2)c(N)c1
InChIInChI=1S/C15H13NOS/c1-17-11-6-7-12(13(16)9-11)15-8-10-4-2-3-5-14(10)18-15/h2-9H,16H2,1H3
InChIKeyRMPKETUCRNBQOD-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.16
Rot. Bonds2

About 2-(1-benzothiophen-2-yl)-5-methoxyaniline

2-(1-benzothiophen-2-yl)-5-methoxyaniline (PubChem CID 24827981) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-5-methoxyaniline.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-5-methoxyaniline
PubChem CID24827981
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name2-(1-benzothiophen-2-yl)-5-methoxyaniline
SMILESCOc1ccc(-c2cc3ccccc3s2)c(N)c1
InChIInChI=1S/C15H13NOS/c1-17-11-6-7-12(13(16)9-11)15-8-10-4-2-3-5-14(10)18-15/h2-9H,16H2,1H3
InChIKeyRMPKETUCRNBQOD-UHFFFAOYSA-N
XLogP4.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-5-methoxyaniline?
The IUPAC name of 2-(1-benzothiophen-2-yl)-5-methoxyaniline (CID 24827981) is 2-(1-benzothiophen-2-yl)-5-methoxyaniline.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-5-methoxyaniline?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-5-methoxyaniline is COc1ccc(-c2cc3ccccc3s2)c(N)c1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-5-methoxyaniline?
The InChIKey is RMPKETUCRNBQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-17-11-6-7-12(13(16)9-11)15-8-10-4-2-3-5-14(10)18-15/h2-9H,16H2,1H3.
What are the key properties of 2-(1-benzothiophen-2-yl)-5-methoxyaniline?
2-(1-benzothiophen-2-yl)-5-methoxyaniline has a molecular weight of 255.34 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-5-methoxyaniline is sourced from PubChem (CID 24827981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).