2-(2,4,6-trimethoxyphenyl)pyrrolidine

C13H19NO3 — CID 64688713

IUPAC2-(2,4,6-trimethoxyphenyl)pyrrolidine
SMILESCOc1cc(OC)c(C2CCCN2)c(OC)c1
InChIInChI=1S/C13H19NO3/c1-15-9-7-11(16-2)13(12(8-9)17-3)10-5-4-6-14-10/h7-8,10,14H,4-6H2,1-3H3
InChIKeyFCHYQFHCBWCEPO-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.14
Rot. Bonds4

About 2-(2,4,6-trimethoxyphenyl)pyrrolidine

2-(2,4,6-trimethoxyphenyl)pyrrolidine (PubChem CID 64688713) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(2,4,6-trimethoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(2,4,6-trimethoxyphenyl)pyrrolidine
PubChem CID64688713
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(2,4,6-trimethoxyphenyl)pyrrolidine
SMILESCOc1cc(OC)c(C2CCCN2)c(OC)c1
InChIInChI=1S/C13H19NO3/c1-15-9-7-11(16-2)13(12(8-9)17-3)10-5-4-6-14-10/h7-8,10,14H,4-6H2,1-3H3
InChIKeyFCHYQFHCBWCEPO-UHFFFAOYSA-N
XLogP2.14
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethoxyphenyl)pyrrolidine?
The IUPAC name of 2-(2,4,6-trimethoxyphenyl)pyrrolidine (CID 64688713) is 2-(2,4,6-trimethoxyphenyl)pyrrolidine.
What is the SMILES notation for 2-(2,4,6-trimethoxyphenyl)pyrrolidine?
The canonical SMILES for 2-(2,4,6-trimethoxyphenyl)pyrrolidine is COc1cc(OC)c(C2CCCN2)c(OC)c1.
What is the InChIKey of 2-(2,4,6-trimethoxyphenyl)pyrrolidine?
The InChIKey is FCHYQFHCBWCEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-15-9-7-11(16-2)13(12(8-9)17-3)10-5-4-6-14-10/h7-8,10,14H,4-6H2,1-3H3.
What are the key properties of 2-(2,4,6-trimethoxyphenyl)pyrrolidine?
2-(2,4,6-trimethoxyphenyl)pyrrolidine has a molecular weight of 237.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethoxyphenyl)pyrrolidine is sourced from PubChem (CID 64688713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).