2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine

C15H23NO3 — CID 117417625

IUPAC2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine
SMILESCOCc1cc(OC)c(CC2CCCN2)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-17-10-11-7-14(18-2)13(15(8-11)19-3)9-12-5-4-6-16-12/h7-8,12,16H,4-6,9-10H2,1-3H3
InChIKeyNYDLLWZOFOFXHA-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.14
Rot. Bonds6

About 2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine

2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine (PubChem CID 117417625) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine
PubChem CID117417625
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine
SMILESCOCc1cc(OC)c(CC2CCCN2)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-17-10-11-7-14(18-2)13(15(8-11)19-3)9-12-5-4-6-16-12/h7-8,12,16H,4-6,9-10H2,1-3H3
InChIKeyNYDLLWZOFOFXHA-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

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Related Compounds

2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 117417638
2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]piperidine
CID 117448273
2-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]piperidine
CID 117448266
2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117396171
2-[(2-chloro-4,6-dimethoxyphenyl)methyl]pyrrolidine
CID 117392683
2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine
CID 117427732
2-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 117316517
2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine
CID 117377110
2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine
CID 84778649
3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117296060
2-[(5-ethyl-2,3-dimethoxyphenyl)methyl]pyrrolidine
CID 117377118
2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
CID 117417665

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine?
The IUPAC name of 2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine (CID 117417625) is 2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for 2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for 2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine is COCc1cc(OC)c(CC2CCCN2)c(OC)c1.
What is the InChIKey of 2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine?
The InChIKey is NYDLLWZOFOFXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-10-11-7-14(18-2)13(15(8-11)19-3)9-12-5-4-6-16-12/h7-8,12,16H,4-6,9-10H2,1-3H3.
What are the key properties of 2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine?
2-[[2,6-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-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 117417625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).