3-[1-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]ethyl]-1H-indole

C21H24N2O — CID 173297416

IUPAC3-[1-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]ethyl]-1H-indole
SMILESCC(c1c[nH]c2ccccc12)N1CCC[C@H]1COc1ccccc1
InChIInChI=1S/C21H24N2O/c1-16(20-14-22-21-12-6-5-11-19(20)21)23-13-7-8-17(23)15-24-18-9-3-2-4-10-18/h2-6,9-12,14,16-17,22H,7-8,13,15H2,1H3/t16?,17-/m0/s1
InChIKeyOBWHFMJARSLHKA-DJNXLDHESA-N
MW320.44 g/mol
LogP4.77
Rot. Bonds5

About 3-[1-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]ethyl]-1H-indole

3-[1-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]ethyl]-1H-indole (PubChem CID 173297416) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-[1-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]ethyl]-1H-indole.

Molecular Properties

Compound Name3-[1-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]ethyl]-1H-indole
PubChem CID173297416
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name3-[1-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]ethyl]-1H-indole
SMILESCC(c1c[nH]c2ccccc12)N1CCC[C@H]1COc1ccccc1
InChIInChI=1S/C21H24N2O/c1-16(20-14-22-21-12-6-5-11-19(20)21)23-13-7-8-17(23)15-24-18-9-3-2-4-10-18/h2-6,9-12,14,16-17,22H,7-8,13,15H2,1H3/t16?,17-/m0/s1
InChIKeyOBWHFMJARSLHKA-DJNXLDHESA-N
XLogP4.77
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]ethyl]-1H-indole?
The IUPAC name of 3-[1-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]ethyl]-1H-indole (CID 173297416) is 3-[1-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]ethyl]-1H-indole.
What is the SMILES notation for 3-[1-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]ethyl]-1H-indole?
The canonical SMILES for 3-[1-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]ethyl]-1H-indole is CC(c1c[nH]c2ccccc12)N1CCC[C@H]1COc1ccccc1.
What is the InChIKey of 3-[1-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]ethyl]-1H-indole?
The InChIKey is OBWHFMJARSLHKA-DJNXLDHESA-N. The full InChI is InChI=1S/C21H24N2O/c1-16(20-14-22-21-12-6-5-11-19(20)21)23-13-7-8-17(23)15-24-18-9-3-2-4-10-18/h2-6,9-12,14,16-17,22H,7-8,13,15H2,1H3/t16?,17-/m0/s1.
What are the key properties of 3-[1-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]ethyl]-1H-indole?
3-[1-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]ethyl]-1H-indole has a molecular weight of 320.44 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]ethyl]-1H-indole is sourced from PubChem (CID 173297416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).