[2-(aminomethyl)-1-benzothiophen-5-yl]methanamine

C10H12N2S — CID 117176262

IUPAC[2-(aminomethyl)-1-benzothiophen-5-yl]methanamine
SMILESNCc1ccc2sc(CN)cc2c1
InChIInChI=1S/C10H12N2S/c11-5-7-1-2-10-8(3-7)4-9(6-12)13-10/h1-4H,5-6,11-12H2
InChIKeyFWLHGNCKFQXBFY-UHFFFAOYSA-N
MW192.29 g/mol
LogP1.82
Rot. Bonds2

About [2-(aminomethyl)-1-benzothiophen-5-yl]methanamine

[2-(aminomethyl)-1-benzothiophen-5-yl]methanamine (PubChem CID 117176262) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is [2-(aminomethyl)-1-benzothiophen-5-yl]methanamine.

Molecular Properties

Compound Name[2-(aminomethyl)-1-benzothiophen-5-yl]methanamine
PubChem CID117176262
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name[2-(aminomethyl)-1-benzothiophen-5-yl]methanamine
SMILESNCc1ccc2sc(CN)cc2c1
InChIInChI=1S/C10H12N2S/c11-5-7-1-2-10-8(3-7)4-9(6-12)13-10/h1-4H,5-6,11-12H2
InChIKeyFWLHGNCKFQXBFY-UHFFFAOYSA-N
XLogP1.82
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1-benzothiophen-5-yl]methanamine?
The IUPAC name of [2-(aminomethyl)-1-benzothiophen-5-yl]methanamine (CID 117176262) is [2-(aminomethyl)-1-benzothiophen-5-yl]methanamine.
What is the SMILES notation for [2-(aminomethyl)-1-benzothiophen-5-yl]methanamine?
The canonical SMILES for [2-(aminomethyl)-1-benzothiophen-5-yl]methanamine is NCc1ccc2sc(CN)cc2c1.
What is the InChIKey of [2-(aminomethyl)-1-benzothiophen-5-yl]methanamine?
The InChIKey is FWLHGNCKFQXBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c11-5-7-1-2-10-8(3-7)4-9(6-12)13-10/h1-4H,5-6,11-12H2.
What are the key properties of [2-(aminomethyl)-1-benzothiophen-5-yl]methanamine?
[2-(aminomethyl)-1-benzothiophen-5-yl]methanamine has a molecular weight of 192.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1-benzothiophen-5-yl]methanamine is sourced from PubChem (CID 117176262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).