2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]pyrrolidine

C15H23NO2 — CID 117377118

IUPAC2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]pyrrolidine
SMILESCCc1cc(CC2CCCN2)c(OC)c(OC)c1
InChIInChI=1S/C15H23NO2/c1-4-11-8-12(10-13-6-5-7-16-13)15(18-3)14(9-11)17-2/h8-9,13,16H,4-7,10H2,1-3H3
InChIKeyVLDUTXQZYDQILZ-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.56
Rot. Bonds5

About 2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]pyrrolidine

2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]pyrrolidine (PubChem CID 117377118) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]pyrrolidine
PubChem CID117377118
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]pyrrolidine
SMILESCCc1cc(CC2CCCN2)c(OC)c(OC)c1
InChIInChI=1S/C15H23NO2/c1-4-11-8-12(10-13-6-5-7-16-13)15(18-3)14(9-11)17-2/h8-9,13,16H,4-7,10H2,1-3H3
InChIKeyVLDUTXQZYDQILZ-UHFFFAOYSA-N
XLogP2.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]piperidine
CID 117448266
2-[(2,3,5-trimethoxyphenyl)methyl]piperidine
CID 117417667
3,4-dimethoxy-5-(pyrrolidin-2-ylmethyl)benzoic acid
CID 117417276
2-[(3-fluoro-2,4,5-trimethoxyphenyl)methyl]piperidine
CID 117455554
2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386331
2,3-dimethoxy-5-(pyrrolidin-2-ylmethyl)benzonitrile
CID 117368202
N-methyl-1-pyrrolidin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 106602528
2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117392691
2-[[3-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]methyl]piperidine
CID 117482277
2-[(6-ethyl-2,3-dimethoxyphenyl)methyl]piperidine
CID 117413480
(2S)-2-[[2,5-dimethoxy-4-(propoxymethyl)phenyl]methyl]pyrrolidine
CID 178136967
2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine
CID 117427831

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]pyrrolidine (CID 117377118) is 2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]pyrrolidine is CCc1cc(CC2CCCN2)c(OC)c(OC)c1.
What is the InChIKey of 2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]pyrrolidine?
The InChIKey is VLDUTXQZYDQILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-11-8-12(10-13-6-5-7-16-13)15(18-3)14(9-11)17-2/h8-9,13,16H,4-7,10H2,1-3H3.
What are the key properties of 2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]pyrrolidine?
2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]pyrrolidine has a molecular weight of 249.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]pyrrolidine is sourced from PubChem (CID 117377118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).