1-(1-benzothiophen-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine

C17H19NOS — CID 65151844

IUPAC1-(1-benzothiophen-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCNC(c1c(C)oc(C)c1C)c1csc2ccccc12
InChIInChI=1S/C17H19NOS/c1-10-11(2)19-12(3)16(10)17(18-4)14-9-20-15-8-6-5-7-13(14)15/h5-9,17-18H,1-4H3
InChIKeyLRWBNJFBWFIRMV-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.73
Rot. Bonds3

About 1-(1-benzothiophen-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine

1-(1-benzothiophen-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine (PubChem CID 65151844) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
PubChem CID65151844
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name1-(1-benzothiophen-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCNC(c1c(C)oc(C)c1C)c1csc2ccccc12
InChIInChI=1S/C17H19NOS/c1-10-11(2)19-12(3)16(10)17(18-4)14-9-20-15-8-6-5-7-13(14)15/h5-9,17-18H,1-4H3
InChIKeyLRWBNJFBWFIRMV-UHFFFAOYSA-N
XLogP4.73
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-benzothiophen-3-yl(chloro)methyl]-2,4,5-trimethylfuran
CID 65152089
1-(1-benzothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43485732
1-(1-benzothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 43485809
1-(1-benzothiophen-3-yl)-1-(2-iodophenyl)-N-methylmethanamine
CID 43485769
1-(1-benzothiophen-3-yl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine
CID 115483920
1-(1-benzothiophen-3-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049999
[2-(1-benzothiophen-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]hydrazine
CID 105291679
2-(1-benzothiophen-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115823714
3-[1-benzothiophen-3-yl(methylamino)methyl]aniline
CID 116951922
1-(1-benzothiophen-3-yl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 114994005
N-methyl-1-(2-propan-2-yloxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 105018303
1-(1-benzothiophen-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043669

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine (CID 65151844) is 1-(1-benzothiophen-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine is CNC(c1c(C)oc(C)c1C)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The InChIKey is LRWBNJFBWFIRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-10-11(2)19-12(3)16(10)17(18-4)14-9-20-15-8-6-5-7-13(14)15/h5-9,17-18H,1-4H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
1-(1-benzothiophen-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine has a molecular weight of 285.41 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine is sourced from PubChem (CID 65151844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).