5-methoxy-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-3-methyl-1H-indole

C19H26N2O2 — CID 74241751

IUPAC5-methoxy-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-3-methyl-1H-indole
SMILESCOc1ccc2[nH]c(CN3C[C@H]4CC[C@@H](C3)C4OC)c(C)c2c1
InChIInChI=1S/C19H26N2O2/c1-12-16-8-15(22-2)6-7-17(16)20-18(12)11-21-9-13-4-5-14(10-21)19(13)23-3/h6-8,13-14,19-20H,4-5,9-11H2,1-3H3/t13-,14+,19?
InChIKeyGODGVOVMCMGASU-FSWDVZBNSA-N
MW314.43 g/mol
LogP3.34
Rot. Bonds4

About 5-methoxy-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-3-methyl-1H-indole

5-methoxy-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-3-methyl-1H-indole (PubChem CID 74241751) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-methoxy-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-3-methyl-1H-indole.

Molecular Properties

Compound Name5-methoxy-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-3-methyl-1H-indole
PubChem CID74241751
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name5-methoxy-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-3-methyl-1H-indole
SMILESCOc1ccc2[nH]c(CN3C[C@H]4CC[C@@H](C3)C4OC)c(C)c2c1
InChIInChI=1S/C19H26N2O2/c1-12-16-8-15(22-2)6-7-17(16)20-18(12)11-21-9-13-4-5-14(10-21)19(13)23-3/h6-8,13-14,19-20H,4-5,9-11H2,1-3H3/t13-,14+,19?
InChIKeyGODGVOVMCMGASU-FSWDVZBNSA-N
XLogP3.34
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

formic acid;(3S,4S)-4-methoxy-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-ol
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(3R,4R)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol
CID 45244684
4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-pyridin-3-ylmorpholine
CID 74237359
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CID 29085132
7-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136798373
3-(5-methoxy-3-methyl-1H-indol-2-yl)propan-1-ol
CID 170857438
2-[1-[(3,4-difluorophenyl)methyl]-4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperazin-2-yl]ethanol
CID 45215915
5-fluoro-2-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-3-methyl-1H-indole
CID 77092135
6-[4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 131930112
1'-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 163316612

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-3-methyl-1H-indole?
The IUPAC name of 5-methoxy-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-3-methyl-1H-indole (CID 74241751) is 5-methoxy-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-3-methyl-1H-indole.
What is the SMILES notation for 5-methoxy-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-3-methyl-1H-indole?
The canonical SMILES for 5-methoxy-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-3-methyl-1H-indole is COc1ccc2[nH]c(CN3C[C@H]4CC[C@@H](C3)C4OC)c(C)c2c1.
What is the InChIKey of 5-methoxy-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-3-methyl-1H-indole?
The InChIKey is GODGVOVMCMGASU-FSWDVZBNSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-12-16-8-15(22-2)6-7-17(16)20-18(12)11-21-9-13-4-5-14(10-21)19(13)23-3/h6-8,13-14,19-20H,4-5,9-11H2,1-3H3/t13-,14+,19?.
What are the key properties of 5-methoxy-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-3-methyl-1H-indole?
5-methoxy-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-3-methyl-1H-indole has a molecular weight of 314.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-3-methyl-1H-indole is sourced from PubChem (CID 74241751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).