1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine

C20H27N3O2 — CID 126807911

IUPAC1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine
SMILESCCOc1cc(CNCc2cnc3n2CCCC3)c2c(c1)CC(C)O2
InChIInChI=1S/C20H27N3O2/c1-3-24-18-9-15-8-14(2)25-20(15)16(10-18)11-21-12-17-13-22-19-6-4-5-7-23(17)19/h9-10,13-14,21H,3-8,11-12H2,1-2H3
InChIKeyROWYCAJGUCXVSS-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.23
Rot. Bonds6

About 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine

1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine (PubChem CID 126807911) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine
PubChem CID126807911
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine
SMILESCCOc1cc(CNCc2cnc3n2CCCC3)c2c(c1)CC(C)O2
InChIInChI=1S/C20H27N3O2/c1-3-24-18-9-15-8-14(2)25-20(15)16(10-18)11-21-12-17-13-22-19-6-4-5-7-23(17)19/h9-10,13-14,21H,3-8,11-12H2,1-2H3
InChIKeyROWYCAJGUCXVSS-UHFFFAOYSA-N
XLogP3.23
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine (CID 126807911) is 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine is CCOc1cc(CNCc2cnc3n2CCCC3)c2c(c1)CC(C)O2.
What is the InChIKey of 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine?
The InChIKey is ROWYCAJGUCXVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-24-18-9-15-8-14(2)25-20(15)16(10-18)11-21-12-17-13-22-19-6-4-5-7-23(17)19/h9-10,13-14,21H,3-8,11-12H2,1-2H3.
What are the key properties of 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine?
1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine has a molecular weight of 341.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 126807911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).