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

C15H17N3O2 — CID 104516055

IUPAC1-(2,3-dihydro-1-benzofuran-2-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
SMILESCNC(c1nccnc1OC)C1Cc2ccccc2O1
InChIInChI=1S/C15H17N3O2/c1-16-13(14-15(19-2)18-8-7-17-14)12-9-10-5-3-4-6-11(10)20-12/h3-8,12-13,16H,9H2,1-2H3
InChIKeyATHUYRXEOCAOKV-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.75
Rot. Bonds4

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

1-(2,3-dihydro-1-benzofuran-2-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine (PubChem CID 104516055) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
PubChem CID104516055
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
SMILESCNC(c1nccnc1OC)C1Cc2ccccc2O1
InChIInChI=1S/C15H17N3O2/c1-16-13(14-15(19-2)18-8-7-17-14)12-9-10-5-3-4-6-11(10)20-12/h3-8,12-13,16H,9H2,1-2H3
InChIKeyATHUYRXEOCAOKV-UHFFFAOYSA-N
XLogP1.75
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxypyrazin-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 105031831
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43625337
1-(2,3-dihydro-1-benzofuran-2-yl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652111
1-(4-bromophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine
CID 43481050
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485900
[2,3-dihydro-1-benzothiophen-2-yl-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105332622
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483195
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(4-propylphenyl)methanamine
CID 43484908
1-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine
CID 79746928
1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 104515711
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 51116674
[2,3-dihydro-1-benzofuran-2-yl-(2-methoxy-5-methylphenyl)methyl]hydrazine
CID 105262926

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine (CID 104516055) is 1-(2,3-dihydro-1-benzofuran-2-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine is CNC(c1nccnc1OC)C1Cc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
The InChIKey is ATHUYRXEOCAOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-16-13(14-15(19-2)18-8-7-17-14)12-9-10-5-3-4-6-11(10)20-12/h3-8,12-13,16H,9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
1-(2,3-dihydro-1-benzofuran-2-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine has a molecular weight of 271.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 104516055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).