1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine

C15H17NOS — CID 114745874

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
SMILESCNC(c1cscc1C)c1cccc2c1OCC2
InChIInChI=1S/C15H17NOS/c1-10-8-18-9-13(10)14(16-2)12-5-3-4-11-6-7-17-15(11)12/h3-5,8-9,14,16H,6-7H2,1-2H3
InChIKeyLJAZZEOCHCZZRI-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.30
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine

1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine (PubChem CID 114745874) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
PubChem CID114745874
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
SMILESCNC(c1cscc1C)c1cccc2c1OCC2
InChIInChI=1S/C15H17NOS/c1-10-8-18-9-13(10)14(16-2)12-5-3-4-11-6-7-17-15(11)12/h3-5,8-9,14,16H,6-7H2,1-2H3
InChIKeyLJAZZEOCHCZZRI-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 114745158
1-(4-bromo-2-methylphenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053222
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 114745170
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 114745069
1-(2,4-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 107946952
1-(2-bromo-3-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053193
1-(3-bromo-2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053440
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 105189432
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105189498
4-[2,3-dihydro-1-benzofuran-7-yl(methylamino)methyl]-N,N-dimethylaniline
CID 105189461
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105189321
1-(2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 114745209

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine (CID 114745874) is 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine is CNC(c1cscc1C)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine?
The InChIKey is LJAZZEOCHCZZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-10-8-18-9-13(10)14(16-2)12-5-3-4-11-6-7-17-15(11)12/h3-5,8-9,14,16H,6-7H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine?
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine has a molecular weight of 259.37 g/mol, XLogP of 3.30, 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-7-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 114745874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).