1-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine

C15H17N3O2 — CID 103374293

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)CCO2)c1ccc(OC)nn1
InChIInChI=1S/C15H17N3O2/c1-16-15(12-4-6-14(19-2)18-17-12)11-3-5-13-10(9-11)7-8-20-13/h3-6,9,15-16H,7-8H2,1-2H3
InChIKeyOFQOBLVRRXEYFN-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.73
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine

1-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine (PubChem CID 103374293) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine
PubChem CID103374293
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)CCO2)c1ccc(OC)nn1
InChIInChI=1S/C15H17N3O2/c1-16-15(12-4-6-14(19-2)18-17-12)11-3-5-13-10(9-11)7-8-20-13/h3-6,9,15-16H,7-8H2,1-2H3
InChIKeyOFQOBLVRRXEYFN-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 104542536
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105031866
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43482586
1-(5-bromo-2-methoxyphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 62200882
1-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine
CID 103374118
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 115854608
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine
CID 116954398
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 114990712
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 61331355
1-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 43482503
1-(3,5-dibromo-2-pyridinyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 104542845
2,3-dihydro-1,4-benzodioxin-6-yl-(6-methoxypyridazin-3-yl)methanamine
CID 103373906

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine (CID 103374293) is 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine is CNC(c1ccc2c(c1)CCO2)c1ccc(OC)nn1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine?
The InChIKey is OFQOBLVRRXEYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-16-15(12-4-6-14(19-2)18-17-12)11-3-5-13-10(9-11)7-8-20-13/h3-6,9,15-16H,7-8H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine has a molecular weight of 271.32 g/mol, XLogP of 1.73, 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-5-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine is sourced from PubChem (CID 103374293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).