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

C16H24N2O2 — CID 62460049

IUPAC2-[[2-(aminomethyl)-1-benzofuran-3-yl]methoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOCc1c(CN)oc2ccccc12
InChIInChI=1S/C16H24N2O2/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
InChIKeyYKJQBWSPERSFHA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.75
Rot. Bonds8

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

2-[[2-(aminomethyl)-1-benzofuran-3-yl]methoxy]-N,N-diethylethanamine (PubChem CID 62460049) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-1-benzofuran-3-yl]methoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-1-benzofuran-3-yl]methoxy]-N,N-diethylethanamine
PubChem CID62460049
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[[2-(aminomethyl)-1-benzofuran-3-yl]methoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOCc1c(CN)oc2ccccc12
InChIInChI=1S/C16H24N2O2/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
InChIKeyYKJQBWSPERSFHA-UHFFFAOYSA-N
XLogP2.75
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.75
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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Related Compounds

[3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62456387
[3-(octoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62457211
[3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1-benzofuran-2-yl]methanamine
CID 115942815
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylpropan-1-amine
CID 62420279
[3-(2-methylpentoxymethyl)-1-benzofuran-2-yl]methanamine
CID 103285698
[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62485823
2-[[2-(aminomethyl)-1-benzothiophen-3-yl]methoxy]-N,N-diethylethanamine
CID 62459329
[3-(cyclohexylmethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62486710
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-propylpropan-1-amine
CID 62438385
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylbutan-2-amine
CID 62420512
[3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 62453771
[3-[(4-methylsulfanylphenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 63648436

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-1-benzofuran-3-yl]methoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[[2-(aminomethyl)-1-benzofuran-3-yl]methoxy]-N,N-diethylethanamine (CID 62460049) is 2-[[2-(aminomethyl)-1-benzofuran-3-yl]methoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[[2-(aminomethyl)-1-benzofuran-3-yl]methoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[[2-(aminomethyl)-1-benzofuran-3-yl]methoxy]-N,N-diethylethanamine is CCN(CC)CCOCc1c(CN)oc2ccccc12.
What is the InChIKey of 2-[[2-(aminomethyl)-1-benzofuran-3-yl]methoxy]-N,N-diethylethanamine?
The InChIKey is YKJQBWSPERSFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/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-benzofuran-3-yl]methoxy]-N,N-diethylethanamine?
2-[[2-(aminomethyl)-1-benzofuran-3-yl]methoxy]-N,N-diethylethanamine has a molecular weight of 276.38 g/mol, XLogP of 2.75, 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-benzofuran-3-yl]methoxy]-N,N-diethylethanamine is sourced from PubChem (CID 62460049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).