[3-[(4-methylsulfanylphenoxy)methyl]-1-benzofuran-2-yl]methanamine

C17H17NO2S — CID 63648436

IUPAC[3-[(4-methylsulfanylphenoxy)methyl]-1-benzofuran-2-yl]methanamine
SMILESCSc1ccc(OCc2c(CN)oc3ccccc23)cc1
InChIInChI=1S/C17H17NO2S/c1-21-13-8-6-12(7-9-13)19-11-15-14-4-2-3-5-16(14)20-17(15)10-18/h2-9H,10-11,18H2,1H3
InChIKeyPXUVZHDGJPLOCF-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.19
Rot. Bonds5

About [3-[(4-methylsulfanylphenoxy)methyl]-1-benzofuran-2-yl]methanamine

[3-[(4-methylsulfanylphenoxy)methyl]-1-benzofuran-2-yl]methanamine (PubChem CID 63648436) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is [3-[(4-methylsulfanylphenoxy)methyl]-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[3-[(4-methylsulfanylphenoxy)methyl]-1-benzofuran-2-yl]methanamine
PubChem CID63648436
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name[3-[(4-methylsulfanylphenoxy)methyl]-1-benzofuran-2-yl]methanamine
SMILESCSc1ccc(OCc2c(CN)oc3ccccc23)cc1
InChIInChI=1S/C17H17NO2S/c1-21-13-8-6-12(7-9-13)19-11-15-14-4-2-3-5-16(14)20-17(15)10-18/h2-9H,10-11,18H2,1H3
InChIKeyPXUVZHDGJPLOCF-UHFFFAOYSA-N
XLogP4.19
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[(4-methylsulfanylphenoxy)methyl]-1-benzofuran-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 62453771
[3-(pyridin-3-yloxymethyl)-1-benzofuran-2-yl]methanamine
CID 62452295
[3-[(3-iodophenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 62485146
[3-[(1-propylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-yl]methanamine
CID 116803468
[3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62456387
[3-[(2,5-dichlorophenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 62450219
[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-[(3-methylphenoxy)methyl]-1-benzofuran-3-yl]methanamine
CID 62452377
2-[[2-(aminomethyl)-1-benzofuran-3-yl]methoxy]-N,N-diethylethanamine
CID 62460049
[3-(2-methylpentoxymethyl)-1-benzofuran-2-yl]methanamine
CID 103285698
[3-(2-thiophen-2-ylethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62485823

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methylsulfanylphenoxy)methyl]-1-benzofuran-2-yl]methanamine?
The IUPAC name of [3-[(4-methylsulfanylphenoxy)methyl]-1-benzofuran-2-yl]methanamine (CID 63648436) is [3-[(4-methylsulfanylphenoxy)methyl]-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [3-[(4-methylsulfanylphenoxy)methyl]-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [3-[(4-methylsulfanylphenoxy)methyl]-1-benzofuran-2-yl]methanamine is CSc1ccc(OCc2c(CN)oc3ccccc23)cc1.
What is the InChIKey of [3-[(4-methylsulfanylphenoxy)methyl]-1-benzofuran-2-yl]methanamine?
The InChIKey is PXUVZHDGJPLOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-21-13-8-6-12(7-9-13)19-11-15-14-4-2-3-5-16(14)20-17(15)10-18/h2-9H,10-11,18H2,1H3.
What are the key properties of [3-[(4-methylsulfanylphenoxy)methyl]-1-benzofuran-2-yl]methanamine?
[3-[(4-methylsulfanylphenoxy)methyl]-1-benzofuran-2-yl]methanamine has a molecular weight of 299.40 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methylsulfanylphenoxy)methyl]-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 63648436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).