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

C15H13NS — CID 46228136

IUPAC2-(1-benzothiophen-2-yl)-5-methylaniline
SMILESCc1ccc(-c2cc3ccccc3s2)c(N)c1
InChIInChI=1S/C15H13NS/c1-10-6-7-12(13(16)8-10)15-9-11-4-2-3-5-14(11)17-15/h2-9H,16H2,1H3
InChIKeyNOMCMHXYCUSMEC-UHFFFAOYSA-N
MW239.34 g/mol
LogP4.46
Rot. Bonds1

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

2-(1-benzothiophen-2-yl)-5-methylaniline (PubChem CID 46228136) has the molecular formula C15H13NS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-5-methylaniline.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-5-methylaniline
PubChem CID46228136
Molecular FormulaC15H13NS
Molecular Weight239.34 g/mol
Exact Mass239.08
IUPAC Name2-(1-benzothiophen-2-yl)-5-methylaniline
SMILESCc1ccc(-c2cc3ccccc3s2)c(N)c1
InChIInChI=1S/C15H13NS/c1-10-6-7-12(13(16)8-10)15-9-11-4-2-3-5-14(11)17-15/h2-9H,16H2,1H3
InChIKeyNOMCMHXYCUSMEC-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methylaniline?
The IUPAC name of 2-(1-benzothiophen-2-yl)-5-methylaniline (CID 46228136) is 2-(1-benzothiophen-2-yl)-5-methylaniline.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-5-methylaniline?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-5-methylaniline is Cc1ccc(-c2cc3ccccc3s2)c(N)c1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-5-methylaniline?
The InChIKey is NOMCMHXYCUSMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS/c1-10-6-7-12(13(16)8-10)15-9-11-4-2-3-5-14(11)17-15/h2-9H,16H2,1H3.
What are the key properties of 2-(1-benzothiophen-2-yl)-5-methylaniline?
2-(1-benzothiophen-2-yl)-5-methylaniline has a molecular weight of 239.34 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-5-methylaniline is sourced from PubChem (CID 46228136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).