[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine

C16H17NO2S — CID 62485823

IUPAC[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
SMILESNCc1oc2ccccc2c1COCCc1cccs1
InChIInChI=1S/C16H17NO2S/c17-10-16-14(13-5-1-2-6-15(13)19-16)11-18-8-7-12-4-3-9-20-12/h1-6,9H,7-8,10-11,17H2
InChIKeyJVHACRPNUUMQTI-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.71
Rot. Bonds6

About [3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine

[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine (PubChem CID 62485823) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is [3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
PubChem CID62485823
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
SMILESNCc1oc2ccccc2c1COCCc1cccs1
InChIInChI=1S/C16H17NO2S/c17-10-16-14(13-5-1-2-6-15(13)19-16)11-18-8-7-12-4-3-9-20-12/h1-6,9H,7-8,10-11,17H2
InChIKeyJVHACRPNUUMQTI-UHFFFAOYSA-N
XLogP3.71
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.71
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

N-methyl-1-[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62485822
[3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62456387
[3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1-benzofuran-2-yl]methanamine
CID 115942815
[3-(octoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62457211
2-[[2-(aminomethyl)-1-benzofuran-3-yl]methoxy]-N,N-diethylethanamine
CID 62460049
[3-(cyclohexylmethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62486710
[3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 62453771
[3-(2-methylpentoxymethyl)-1-benzofuran-2-yl]methanamine
CID 103285698
[3-(pyridin-3-yloxymethyl)-1-benzofuran-2-yl]methanamine
CID 62452295
3-chloro-2-(2-thiophen-2-ylethoxymethyl)aniline
CID 63745442
[3-[(3-iodophenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 62485146
[3-[(4-methylsulfanylphenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 63648436

Frequently Asked Questions

What is the IUPAC name of [3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine?
The IUPAC name of [3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine (CID 62485823) is [3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine is NCc1oc2ccccc2c1COCCc1cccs1.
What is the InChIKey of [3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine?
The InChIKey is JVHACRPNUUMQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c17-10-16-14(13-5-1-2-6-15(13)19-16)11-18-8-7-12-4-3-9-20-12/h1-6,9H,7-8,10-11,17H2.
What are the key properties of [3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine?
[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine has a molecular weight of 287.38 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 62485823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).