N-[[5-(aminomethyl)-1-benzothiophen-2-yl]methyl]ethanamine

C12H16N2S — CID 117176292

IUPACN-[[5-(aminomethyl)-1-benzothiophen-2-yl]methyl]ethanamine
SMILESCCNCc1cc2cc(CN)ccc2s1
InChIInChI=1S/C12H16N2S/c1-2-14-8-11-6-10-5-9(7-13)3-4-12(10)15-11/h3-6,14H,2,7-8,13H2,1H3
InChIKeyXSVPNZIMIHHABI-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.47
Rot. Bonds4

About N-[[5-(aminomethyl)-1-benzothiophen-2-yl]methyl]ethanamine

N-[[5-(aminomethyl)-1-benzothiophen-2-yl]methyl]ethanamine (PubChem CID 117176292) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-1-benzothiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-1-benzothiophen-2-yl]methyl]ethanamine
PubChem CID117176292
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN-[[5-(aminomethyl)-1-benzothiophen-2-yl]methyl]ethanamine
SMILESCCNCc1cc2cc(CN)ccc2s1
InChIInChI=1S/C12H16N2S/c1-2-14-8-11-6-10-5-9(7-13)3-4-12(10)15-11/h3-6,14H,2,7-8,13H2,1H3
InChIKeyXSVPNZIMIHHABI-UHFFFAOYSA-N
XLogP2.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-1-benzothiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(aminomethyl)-1-benzothiophen-2-yl]methyl]ethanamine (CID 117176292) is N-[[5-(aminomethyl)-1-benzothiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(aminomethyl)-1-benzothiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(aminomethyl)-1-benzothiophen-2-yl]methyl]ethanamine is CCNCc1cc2cc(CN)ccc2s1.
What is the InChIKey of N-[[5-(aminomethyl)-1-benzothiophen-2-yl]methyl]ethanamine?
The InChIKey is XSVPNZIMIHHABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-2-14-8-11-6-10-5-9(7-13)3-4-12(10)15-11/h3-6,14H,2,7-8,13H2,1H3.
What are the key properties of N-[[5-(aminomethyl)-1-benzothiophen-2-yl]methyl]ethanamine?
N-[[5-(aminomethyl)-1-benzothiophen-2-yl]methyl]ethanamine has a molecular weight of 220.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-1-benzothiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 117176292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).