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

C20H27N3O2 — CID 97029724

IUPACN-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
SMILESCCOc1cc2c(cc1CNC[C@H]1CCCn3ccnc31)O[C@H](C)C2
InChIInChI=1S/C20H27N3O2/c1-3-24-18-10-16-9-14(2)25-19(16)11-17(18)13-21-12-15-5-4-7-23-8-6-22-20(15)23/h6,8,10-11,14-15,21H,3-5,7,9,12-13H2,1-2H3/t14-,15-/m1/s1
InChIKeyHJPOGPKEYGCBHO-HUUCEWRRSA-N
MW341.46 g/mol
LogP3.27
Rot. Bonds6

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

N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine (PubChem CID 97029724) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine.

Molecular Properties

Compound NameN-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
PubChem CID97029724
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
SMILESCCOc1cc2c(cc1CNC[C@H]1CCCn3ccnc31)O[C@H](C)C2
InChIInChI=1S/C20H27N3O2/c1-3-24-18-10-16-9-14(2)25-19(16)11-17(18)13-21-12-15-5-4-7-23-8-6-22-20(15)23/h6,8,10-11,14-15,21H,3-5,7,9,12-13H2,1-2H3/t14-,15-/m1/s1
InChIKeyHJPOGPKEYGCBHO-HUUCEWRRSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
CID 97073286
N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
CID 97073285
2-[4-[[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]methyl]piperidin-1-yl]ethanol
CID 95282721
1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724341
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2,2-dimethoxyethanamine
CID 60657411
1-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 124682979
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-methylpyrrolidin-3-amine
CID 61461754
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]aniline
CID 43189981
5-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]pentan-1-ol
CID 107302952
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 119114458
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-3-methylsulfanylbutan-1-amine
CID 115604426
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(furan-2-yl)methanamine
CID 30044771

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?
The IUPAC name of N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine (CID 97029724) is N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine.
What is the SMILES notation for N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?
The canonical SMILES for N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine is CCOc1cc2c(cc1CNC[C@H]1CCCn3ccnc31)O[C@H](C)C2.
What is the InChIKey of N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?
The InChIKey is HJPOGPKEYGCBHO-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-24-18-10-16-9-14(2)25-19(16)11-17(18)13-21-12-15-5-4-7-23-8-6-22-20(15)23/h6,8,10-11,14-15,21H,3-5,7,9,12-13H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine?
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine has a molecular weight of 341.46 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine is sourced from PubChem (CID 97029724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).