2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine

C15H23NO3 — CID 117417638

IUPAC2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine
SMILESCOCc1c(OC)cc(CC2CCCN2)cc1OC
InChIInChI=1S/C15H23NO3/c1-17-10-13-14(18-2)8-11(9-15(13)19-3)7-12-5-4-6-16-12/h8-9,12,16H,4-7,10H2,1-3H3
InChIKeyIGTUMDZESHLZQT-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.14
Rot. Bonds6

About 2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine

2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine (PubChem CID 117417638) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine
PubChem CID117417638
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine
SMILESCOCc1c(OC)cc(CC2CCCN2)cc1OC
InChIInChI=1S/C15H23NO3/c1-17-10-13-14(18-2)8-11(9-15(13)19-3)7-12-5-4-6-16-12/h8-9,12,16H,4-7,10H2,1-3H3
InChIKeyIGTUMDZESHLZQT-UHFFFAOYSA-N
XLogP2.14
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]piperidine
CID 117448273
2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 117417625
2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117316517
2-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]piperidine
CID 117448266
2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386331
2,3-dimethoxy-5-(pyrrolidin-2-ylmethyl)benzonitrile
CID 117368202
2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidine
CID 113441439
2-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]pyrrolidine
CID 117382016
2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117396171
2-[[3-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84806173
2-[(2-chloro-4,6-dimethoxyphenyl)methyl]pyrrolidine
CID 117392683
2-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]pyrrolidine
CID 117476757

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine (CID 117417638) is 2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine is COCc1c(OC)cc(CC2CCCN2)cc1OC.
What is the InChIKey of 2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine?
The InChIKey is IGTUMDZESHLZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-10-13-14(18-2)8-11(9-15(13)19-3)7-12-5-4-6-16-12/h8-9,12,16H,4-7,10H2,1-3H3.
What are the key properties of 2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine?
2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine has a molecular weight of 265.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 117417638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).