3-(1-methylpyrrolidin-2-yl)-5-phenylmethoxy-1H-indole

C20H22N2O — CID 26586

IUPAC3-(1-methylpyrrolidin-2-yl)-5-phenylmethoxy-1H-indole
SMILESCN1CCCC1c1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C20H22N2O/c1-22-11-5-8-20(22)18-13-21-19-10-9-16(12-17(18)19)23-14-15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13,20-21H,5,8,11,14H2,1H3
InChIKeySLFSSUKLMIHWLW-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.51
Rot. Bonds4

About 3-(1-methylpyrrolidin-2-yl)-5-phenylmethoxy-1H-indole

3-(1-methylpyrrolidin-2-yl)-5-phenylmethoxy-1H-indole (PubChem CID 26586) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-2-yl)-5-phenylmethoxy-1H-indole.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-2-yl)-5-phenylmethoxy-1H-indole
PubChem CID26586
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name3-(1-methylpyrrolidin-2-yl)-5-phenylmethoxy-1H-indole
SMILESCN1CCCC1c1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C20H22N2O/c1-22-11-5-8-20(22)18-13-21-19-10-9-16(12-17(18)19)23-14-15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13,20-21H,5,8,11,14H2,1H3
InChIKeySLFSSUKLMIHWLW-UHFFFAOYSA-N
XLogP4.51
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-2-yl)-5-phenylmethoxy-1H-indole?
The IUPAC name of 3-(1-methylpyrrolidin-2-yl)-5-phenylmethoxy-1H-indole (CID 26586) is 3-(1-methylpyrrolidin-2-yl)-5-phenylmethoxy-1H-indole.
What is the SMILES notation for 3-(1-methylpyrrolidin-2-yl)-5-phenylmethoxy-1H-indole?
The canonical SMILES for 3-(1-methylpyrrolidin-2-yl)-5-phenylmethoxy-1H-indole is CN1CCCC1c1c[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 3-(1-methylpyrrolidin-2-yl)-5-phenylmethoxy-1H-indole?
The InChIKey is SLFSSUKLMIHWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-22-11-5-8-20(22)18-13-21-19-10-9-16(12-17(18)19)23-14-15-6-3-2-4-7-15/h2-4,6-7,9-10,12-13,20-21H,5,8,11,14H2,1H3.
What are the key properties of 3-(1-methylpyrrolidin-2-yl)-5-phenylmethoxy-1H-indole?
3-(1-methylpyrrolidin-2-yl)-5-phenylmethoxy-1H-indole has a molecular weight of 306.41 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-2-yl)-5-phenylmethoxy-1H-indole is sourced from PubChem (CID 26586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).