1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine

C16H19NOS — CID 81156280

IUPAC1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1sc(C)cc1C)C1COc2ccccc21
InChIInChI=1S/C16H19NOS/c1-10-8-11(2)19-16(10)15(17-3)13-9-18-14-7-5-4-6-12(13)14/h4-8,13,15,17H,9H2,1-3H3
InChIKeyUBKZPWVFLCAFQE-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.80
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine

1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine (PubChem CID 81156280) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
PubChem CID81156280
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1sc(C)cc1C)C1COc2ccccc21
InChIInChI=1S/C16H19NOS/c1-10-8-11(2)19-16(10)15(17-3)13-9-18-14-7-5-4-6-12(13)14/h4-8,13,15,17H,9H2,1-3H3
InChIKeyUBKZPWVFLCAFQE-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,3-dihydro-1-benzofuran-3-yl-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81163668
1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107129103
3-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 65278725
4-[chloro-(3,5-dimethylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromene
CID 81158637
[2,3-dihydro-1-benzofuran-3-yl-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105262790
2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylthiophen-2-yl)methanol
CID 81158440
1-(4-bromo-5-methylthiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 102827282
(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethanamine
CID 96839651
1-(3,5-dimethylthiophen-2-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 81156279
[2,3-dihydro-1-benzofuran-3-yl-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105262807
1-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 65409875
3-[chloro-(2-chloro-4,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 115484743

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine (CID 81156280) is 1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine is CNC(c1sc(C)cc1C)C1COc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is UBKZPWVFLCAFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-10-8-11(2)19-16(10)15(17-3)13-9-18-14-7-5-4-6-12(13)14/h4-8,13,15,17H,9H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine?
1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 273.40 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 81156280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).