3-ethyl-2-(3,4,5-trimethoxyphenyl)pyrrolidine

C15H23NO3 — CID 5112022

IUPAC3-ethyl-2-(3,4,5-trimethoxyphenyl)pyrrolidine
SMILESCCC1CCNC1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-5-10-6-7-16-14(10)11-8-12(17-2)15(19-4)13(9-11)18-3/h8-10,14,16H,5-7H2,1-4H3
InChIKeyIWBXIWCXRYYTMN-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.77
Rot. Bonds5

About 3-ethyl-2-(3,4,5-trimethoxyphenyl)pyrrolidine

3-ethyl-2-(3,4,5-trimethoxyphenyl)pyrrolidine (PubChem CID 5112022) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-ethyl-2-(3,4,5-trimethoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name3-ethyl-2-(3,4,5-trimethoxyphenyl)pyrrolidine
PubChem CID5112022
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-ethyl-2-(3,4,5-trimethoxyphenyl)pyrrolidine
SMILESCCC1CCNC1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-5-10-6-7-16-14(10)11-8-12(17-2)15(19-4)13(9-11)18-3/h8-10,14,16H,5-7H2,1-4H3
InChIKeyIWBXIWCXRYYTMN-UHFFFAOYSA-N
XLogP2.77
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-2-(6-methoxynaphthalen-2-yl)pyrrolidine
CID 64689084
2-(3-ethoxyphenyl)-3-ethylpyrrolidine
CID 64689256
3-ethyl-2-(3-fluorophenyl)pyrrolidine
CID 3903134
(1R)-1-(3,4,5-trimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
CID 127254069
7-ethyl-2,4-bis(3,4,5-trimethoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one
CID 70686691
2-[(3-bromo-4-methoxyphenyl)methyl]azetidine
CID 84708784
(1R,2R,4S,5S)-2,4-bis(3,4,5-trimethoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one
CID 71473110
2-(4-ethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)aziridine
CID 175257882
1,2,3-trimethoxy-5-[(1R,3R)-2-methoxy-3-(3,4,5-trimethoxyphenyl)cyclopentyl]benzene
CID 15004762
2-[(2,3,5-trimethoxyphenyl)methyl]piperidine
CID 117417667
3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1,2,4-triazol-5-one
CID 78300787
(5R,6R)-5-nitro-6-(3,4,5-trimethoxyphenyl)piperidin-2-one
CID 674181

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(3,4,5-trimethoxyphenyl)pyrrolidine?
The IUPAC name of 3-ethyl-2-(3,4,5-trimethoxyphenyl)pyrrolidine (CID 5112022) is 3-ethyl-2-(3,4,5-trimethoxyphenyl)pyrrolidine.
What is the SMILES notation for 3-ethyl-2-(3,4,5-trimethoxyphenyl)pyrrolidine?
The canonical SMILES for 3-ethyl-2-(3,4,5-trimethoxyphenyl)pyrrolidine is CCC1CCNC1c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 3-ethyl-2-(3,4,5-trimethoxyphenyl)pyrrolidine?
The InChIKey is IWBXIWCXRYYTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-10-6-7-16-14(10)11-8-12(17-2)15(19-4)13(9-11)18-3/h8-10,14,16H,5-7H2,1-4H3.
What are the key properties of 3-ethyl-2-(3,4,5-trimethoxyphenyl)pyrrolidine?
3-ethyl-2-(3,4,5-trimethoxyphenyl)pyrrolidine has a molecular weight of 265.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(3,4,5-trimethoxyphenyl)pyrrolidine is sourced from PubChem (CID 5112022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).