5-(2-methoxyethoxy)-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indole

C17H26N2O2 — CID 169244438

IUPAC5-(2-methoxyethoxy)-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indole
SMILESCOCCOc1ccc2c(c1)C(CC1CCCN1C)CN2
InChIInChI=1S/C17H26N2O2/c1-19-7-3-4-14(19)10-13-12-18-17-6-5-15(11-16(13)17)21-9-8-20-2/h5-6,11,13-14,18H,3-4,7-10,12H2,1-2H3
InChIKeyAEZSDPKBKYIFJE-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.71
Rot. Bonds6

About 5-(2-methoxyethoxy)-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indole

5-(2-methoxyethoxy)-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indole (PubChem CID 169244438) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-(2-methoxyethoxy)-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-(2-methoxyethoxy)-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indole
PubChem CID169244438
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name5-(2-methoxyethoxy)-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indole
SMILESCOCCOc1ccc2c(c1)C(CC1CCCN1C)CN2
InChIInChI=1S/C17H26N2O2/c1-19-7-3-4-14(19)10-13-12-18-17-6-5-15(11-16(13)17)21-9-8-20-2/h5-6,11,13-14,18H,3-4,7-10,12H2,1-2H3
InChIKeyAEZSDPKBKYIFJE-UHFFFAOYSA-N
XLogP2.71
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(cyclopropylmethoxy)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole;molecular hydrogen
CID 169244365
methylidene-[[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indol-5-yl]oxy]-λ3-iodane
CID 169244522
3-[(1-methylpyrrolidin-2-yl)methyl]-5-(oxan-4-yloxy)-2,3-dihydro-1H-indole
CID 169244525
2-[[6-(2-methoxyethoxy)-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine
CID 178102576
(2R)-2-[[(1S)-6-(2-methoxyethoxy)-2,3-dihydro-1H-inden-1-yl]methyl]-1-methylpyrrolidine
CID 178102376
(3S)-5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole
CID 169244473
(3R)-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-propan-2-yl-2,3-dihydro-1H-indole
CID 169244389
(3R)-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole
CID 169244502
4-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indol-5-yl]-1,2-thiazole
CID 169244402
3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106986010
3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indol-4-ol
CID 78358010
2-[(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)methyl]-1-methylpyrrolidine
CID 178102472

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxy)-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 5-(2-methoxyethoxy)-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indole (CID 169244438) is 5-(2-methoxyethoxy)-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-(2-methoxyethoxy)-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 5-(2-methoxyethoxy)-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indole is COCCOc1ccc2c(c1)C(CC1CCCN1C)CN2.
What is the InChIKey of 5-(2-methoxyethoxy)-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is AEZSDPKBKYIFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19-7-3-4-14(19)10-13-12-18-17-6-5-15(11-16(13)17)21-9-8-20-2/h5-6,11,13-14,18H,3-4,7-10,12H2,1-2H3.
What are the key properties of 5-(2-methoxyethoxy)-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indole?
5-(2-methoxyethoxy)-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 290.41 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxy)-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 169244438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).