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

C17H19NO2S — CID 62485822

IUPACN-methyl-1-[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
SMILESCNCc1oc2ccccc2c1COCCc1cccs1
InChIInChI=1S/C17H19NO2S/c1-18-11-17-15(14-6-2-3-7-16(14)20-17)12-19-9-8-13-5-4-10-21-13/h2-7,10,18H,8-9,11-12H2,1H3
InChIKeyLFOGWYLLFPEHFM-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.97
Rot. Bonds7

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

N-methyl-1-[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine (PubChem CID 62485822) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-methyl-1-[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
PubChem CID62485822
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-methyl-1-[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
SMILESCNCc1oc2ccccc2c1COCCc1cccs1
InChIInChI=1S/C17H19NO2S/c1-18-11-17-15(14-6-2-3-7-16(14)20-17)12-19-9-8-13-5-4-10-21-13/h2-7,10,18H,8-9,11-12H2,1H3
InChIKeyLFOGWYLLFPEHFM-UHFFFAOYSA-N
XLogP3.97
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.97
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-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62485823
N-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62457094
N-methyl-1-[3-(2-pyrrolidin-1-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62459476
2-methyl-N-[[3-(propoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62451511
N-[[3-(butoxymethyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62449526
1-[2-(3,3-dimethylbutoxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 66227085
N-methyl-1-[3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzofuran-2-yl]methanamine
CID 62442014
N-methyl-1-[2-[2-(2-methylpropoxy)ethoxymethyl]-1-benzofuran-3-yl]methanamine
CID 106449873
N,3-dimethyl-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]butan-2-amine
CID 62433002
N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]-N-propylpropan-1-amine
CID 62438010
N-methyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 62437372
N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62443711

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine (CID 62485822) is N-methyl-1-[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine is CNCc1oc2ccccc2c1COCCc1cccs1.
What is the InChIKey of N-methyl-1-[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine?
The InChIKey is LFOGWYLLFPEHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-18-11-17-15(14-6-2-3-7-16(14)20-17)12-19-9-8-13-5-4-10-21-13/h2-7,10,18H,8-9,11-12H2,1H3.
What are the key properties of N-methyl-1-[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine?
N-methyl-1-[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine has a molecular weight of 301.41 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 62485822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).