5-methoxy-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indole

C17H24N2O2 — CID 176854789

IUPAC5-methoxy-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indole
SMILESCOCCN1CCCC1Cc1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C17H24N2O2/c1-20-9-8-19-7-3-4-14(19)10-13-12-18-17-6-5-15(21-2)11-16(13)17/h5-6,11-12,14,18H,3-4,7-10H2,1-2H3
InChIKeyMLTYHRIGJMIXDI-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.83
Rot. Bonds6

About 5-methoxy-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indole

5-methoxy-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indole (PubChem CID 176854789) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-methoxy-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indole
PubChem CID176854789
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name5-methoxy-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indole
SMILESCOCCN1CCCC1Cc1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C17H24N2O2/c1-20-9-8-19-7-3-4-14(19)10-13-12-18-17-6-5-15(21-2)11-16(13)17/h5-6,11-12,14,18H,3-4,7-10H2,1-2H3
InChIKeyMLTYHRIGJMIXDI-UHFFFAOYSA-N
XLogP2.83
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]oxy]thiane 1-oxide
CID 177026467
3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-pyridin-3-yloxy-1H-indole
CID 177026604
3-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854734
3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-(1-methylpiperidin-4-yl)-1H-indole
CID 177026594
formaldehyde;4-[2-[(5-methoxy-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-N-methylbutan-1-amine
CID 177026451
3-[[(2R)-1-[3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854864
5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole
CID 19970245
CID 177026586
CID 177026586
5-methoxy-3-[[1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 177026458
3-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854871
5-methoxy-3-[[(2R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]-1H-indole
CID 176854720
3-[[(2R)-1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854698

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The IUPAC name of 5-methoxy-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indole (CID 176854789) is 5-methoxy-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indole.
What is the SMILES notation for 5-methoxy-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The canonical SMILES for 5-methoxy-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indole is COCCN1CCCC1Cc1c[nH]c2ccc(OC)cc12.
What is the InChIKey of 5-methoxy-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The InChIKey is MLTYHRIGJMIXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-20-9-8-19-7-3-4-14(19)10-13-12-18-17-6-5-15(21-2)11-16(13)17/h5-6,11-12,14,18H,3-4,7-10H2,1-2H3.
What are the key properties of 5-methoxy-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indole?
5-methoxy-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indole has a molecular weight of 288.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indole is sourced from PubChem (CID 176854789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).