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

C15H21NOS2 — CID 114746006

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine
SMILESCNC(c1cccc2c1OCC2)C1SCCSC1C
InChIInChI=1S/C15H21NOS2/c1-10-15(19-9-8-18-10)13(16-2)12-5-3-4-11-6-7-17-14(11)12/h3-5,10,13,15-16H,6-9H2,1-2H3
InChIKeyVUZQEGXEGNIUSZ-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.12
Rot. Bonds3

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

1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine (PubChem CID 114746006) has the molecular formula C15H21NOS2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine
PubChem CID114746006
Molecular FormulaC15H21NOS2
Molecular Weight295.47 g/mol
Exact Mass295.11
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine
SMILESCNC(c1cccc2c1OCC2)C1SCCSC1C
InChIInChI=1S/C15H21NOS2/c1-10-15(19-9-8-18-10)13(16-2)12-5-3-4-11-6-7-17-14(11)12/h3-5,10,13,15-16H,6-9H2,1-2H3
InChIKeyVUZQEGXEGNIUSZ-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine with MolForge

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Related Compounds

[3,4-dihydro-2H-chromen-8-yl-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259732
1-(3-bicyclo[3.1.0]hexanyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053189
1-(2,3-dichlorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine
CID 113299545
N-[2,3-dihydro-1-benzofuran-7-yl-(5,6-dimethyl-1,4-dithian-2-yl)methyl]ethanamine
CID 103346208
N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 115386818
N-[2,3-dihydro-1-benzofuran-7-yl(thian-2-yl)methyl]ethanamine
CID 114745936
1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoro-N-methylethanamine
CID 103517236
1-(3-bromo-2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053440
N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-(2,3,4-trifluorophenyl)methanamine
CID 115386909
1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 114745158
N-[2,3-dihydro-1-benzofuran-7-yl(thiolan-3-yl)methyl]ethanamine
CID 105189400
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 114745069

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine (CID 114746006) is 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine is CNC(c1cccc2c1OCC2)C1SCCSC1C.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine?
The InChIKey is VUZQEGXEGNIUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS2/c1-10-15(19-9-8-18-10)13(16-2)12-5-3-4-11-6-7-17-14(11)12/h3-5,10,13,15-16H,6-9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine?
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine has a molecular weight of 295.47 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine is sourced from PubChem (CID 114746006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).