4-phenylmethoxy-3-[[(2S)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole

C21H24N2O — CID 156821030

IUPAC4-phenylmethoxy-3-[[(2S)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
SMILES[2H]C([2H])([2H])N1CCC[C@H]1Cc1c[nH]c2cccc(OCc3ccccc3)c12
InChIInChI=1S/C21H24N2O/c1-23-12-6-9-18(23)13-17-14-22-19-10-5-11-20(21(17)19)24-15-16-7-3-2-4-8-16/h2-5,7-8,10-11,14,18,22H,6,9,12-13,15H2,1H3/t18-/m0/s1/i1D3
InChIKeyFQTZZHAWEBFBAW-CAGSJYCBSA-N
MW323.45 g/mol
LogP4.38
Rot. Bonds6

About 4-phenylmethoxy-3-[[(2S)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole

4-phenylmethoxy-3-[[(2S)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole (PubChem CID 156821030) has the molecular formula C21H24N2O and a molecular weight of 323.45 g/mol. Its IUPAC name is 4-phenylmethoxy-3-[[(2S)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole.

Molecular Properties

Compound Name4-phenylmethoxy-3-[[(2S)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
PubChem CID156821030
Molecular FormulaC21H24N2O
Molecular Weight323.45 g/mol
Exact Mass323.21
IUPAC Name4-phenylmethoxy-3-[[(2S)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole
SMILES[2H]C([2H])([2H])N1CCC[C@H]1Cc1c[nH]c2cccc(OCc3ccccc3)c12
InChIInChI=1S/C21H24N2O/c1-23-12-6-9-18(23)13-17-14-22-19-10-5-11-20(21(17)19)24-15-16-7-3-2-4-8-16/h2-5,7-8,10-11,14,18,22H,6,9,12-13,15H2,1H3/t18-/m0/s1/i1D3
InChIKeyFQTZZHAWEBFBAW-CAGSJYCBSA-N
XLogP4.38
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-3-[[(2S)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The IUPAC name of 4-phenylmethoxy-3-[[(2S)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole (CID 156821030) is 4-phenylmethoxy-3-[[(2S)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole.
What is the SMILES notation for 4-phenylmethoxy-3-[[(2S)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The canonical SMILES for 4-phenylmethoxy-3-[[(2S)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole is [2H]C([2H])([2H])N1CCC[C@H]1Cc1c[nH]c2cccc(OCc3ccccc3)c12.
What is the InChIKey of 4-phenylmethoxy-3-[[(2S)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
The InChIKey is FQTZZHAWEBFBAW-CAGSJYCBSA-N. The full InChI is InChI=1S/C21H24N2O/c1-23-12-6-9-18(23)13-17-14-22-19-10-5-11-20(21(17)19)24-15-16-7-3-2-4-8-16/h2-5,7-8,10-11,14,18,22H,6,9,12-13,15H2,1H3/t18-/m0/s1/i1D3.
What are the key properties of 4-phenylmethoxy-3-[[(2S)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole?
4-phenylmethoxy-3-[[(2S)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole has a molecular weight of 323.45 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-3-[[(2S)-1-(trideuteriomethyl)pyrrolidin-2-yl]methyl]-1H-indole is sourced from PubChem (CID 156821030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).