2-(aminomethyl)-1-benzothiophen-7-amine

C9H10N2S — CID 84767706

IUPAC2-(aminomethyl)-1-benzothiophen-7-amine
SMILESNCc1cc2cccc(N)c2s1
InChIInChI=1S/C9H10N2S/c10-5-7-4-6-2-1-3-8(11)9(6)12-7/h1-4H,5,10-11H2
InChIKeyHTLQYNBGGPXUOT-UHFFFAOYSA-N
MW178.26 g/mol
LogP1.94
Rot. Bonds1

About 2-(aminomethyl)-1-benzothiophen-7-amine

2-(aminomethyl)-1-benzothiophen-7-amine (PubChem CID 84767706) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-(aminomethyl)-1-benzothiophen-7-amine.

Molecular Properties

Compound Name2-(aminomethyl)-1-benzothiophen-7-amine
PubChem CID84767706
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name2-(aminomethyl)-1-benzothiophen-7-amine
SMILESNCc1cc2cccc(N)c2s1
InChIInChI=1S/C9H10N2S/c10-5-7-4-6-2-1-3-8(11)9(6)12-7/h1-4H,5,10-11H2
InChIKeyHTLQYNBGGPXUOT-UHFFFAOYSA-N
XLogP1.94
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
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-(aminomethyl)-1-benzothiophen-7-amine?
The IUPAC name of 2-(aminomethyl)-1-benzothiophen-7-amine (CID 84767706) is 2-(aminomethyl)-1-benzothiophen-7-amine.
What is the SMILES notation for 2-(aminomethyl)-1-benzothiophen-7-amine?
The canonical SMILES for 2-(aminomethyl)-1-benzothiophen-7-amine is NCc1cc2cccc(N)c2s1.
What is the InChIKey of 2-(aminomethyl)-1-benzothiophen-7-amine?
The InChIKey is HTLQYNBGGPXUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c10-5-7-4-6-2-1-3-8(11)9(6)12-7/h1-4H,5,10-11H2.
What are the key properties of 2-(aminomethyl)-1-benzothiophen-7-amine?
2-(aminomethyl)-1-benzothiophen-7-amine has a molecular weight of 178.26 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-benzothiophen-7-amine is sourced from PubChem (CID 84767706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).