2-[[2-(aminomethyl)-1-benzothiophen-3-yl]methoxy]-N,N-diethylethanamine

C16H24N2OS — CID 62459329

IUPAC2-[[2-(aminomethyl)-1-benzothiophen-3-yl]methoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOCc1c(CN)sc2ccccc12
InChIInChI=1S/C16H24N2OS/c1-3-18(4-2)9-10-19-12-14-13-7-5-6-8-15(13)20-16(14)11-17/h5-8H,3-4,9-12,17H2,1-2H3
InChIKeyNULLSJNNVGGOHP-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.22
Rot. Bonds8

About 2-[[2-(aminomethyl)-1-benzothiophen-3-yl]methoxy]-N,N-diethylethanamine

2-[[2-(aminomethyl)-1-benzothiophen-3-yl]methoxy]-N,N-diethylethanamine (PubChem CID 62459329) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-1-benzothiophen-3-yl]methoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-1-benzothiophen-3-yl]methoxy]-N,N-diethylethanamine
PubChem CID62459329
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name2-[[2-(aminomethyl)-1-benzothiophen-3-yl]methoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOCc1c(CN)sc2ccccc12
InChIInChI=1S/C16H24N2OS/c1-3-18(4-2)9-10-19-12-14-13-7-5-6-8-15(13)20-16(14)11-17/h5-8H,3-4,9-12,17H2,1-2H3
InChIKeyNULLSJNNVGGOHP-UHFFFAOYSA-N
XLogP3.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-1-benzothiophen-3-yl]methoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[[2-(aminomethyl)-1-benzothiophen-3-yl]methoxy]-N,N-diethylethanamine (CID 62459329) is 2-[[2-(aminomethyl)-1-benzothiophen-3-yl]methoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[[2-(aminomethyl)-1-benzothiophen-3-yl]methoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[[2-(aminomethyl)-1-benzothiophen-3-yl]methoxy]-N,N-diethylethanamine is CCN(CC)CCOCc1c(CN)sc2ccccc12.
What is the InChIKey of 2-[[2-(aminomethyl)-1-benzothiophen-3-yl]methoxy]-N,N-diethylethanamine?
The InChIKey is NULLSJNNVGGOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-18(4-2)9-10-19-12-14-13-7-5-6-8-15(13)20-16(14)11-17/h5-8H,3-4,9-12,17H2,1-2H3.
What are the key properties of 2-[[2-(aminomethyl)-1-benzothiophen-3-yl]methoxy]-N,N-diethylethanamine?
2-[[2-(aminomethyl)-1-benzothiophen-3-yl]methoxy]-N,N-diethylethanamine has a molecular weight of 292.45 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-1-benzothiophen-3-yl]methoxy]-N,N-diethylethanamine is sourced from PubChem (CID 62459329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).