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

C14H21NO3 — CID 117381690

IUPAC2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]pyrrolidine
SMILESCOCc1cc(OC)c(OC)cc1C1CCCN1
InChIInChI=1S/C14H21NO3/c1-16-9-10-7-13(17-2)14(18-3)8-11(10)12-5-4-6-15-12/h7-8,12,15H,4-6,9H2,1-3H3
InChIKeyZSFRQWFEDMDBTC-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.27
Rot. Bonds5

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

2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]pyrrolidine (PubChem CID 117381690) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]pyrrolidine
PubChem CID117381690
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]pyrrolidine
SMILESCOCc1cc(OC)c(OC)cc1C1CCCN1
InChIInChI=1S/C14H21NO3/c1-16-9-10-7-13(17-2)14(18-3)8-11(10)12-5-4-6-15-12/h7-8,12,15H,4-6,9H2,1-3H3
InChIKeyZSFRQWFEDMDBTC-UHFFFAOYSA-N
XLogP2.27
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(fluoromethyl)-4,5-dimethoxyphenyl]pyrrolidine
CID 84701267
2-(2,4,5-trimethoxyphenyl)azepane
CID 62543409
2-[4-(fluoromethyl)-2,5-dimethoxyphenyl]pyrrolidine
CID 84701260
2-[5-methoxy-2-(methoxymethyl)phenyl]piperidine
CID 117343126
(2S)-2-(2-bromo-4,5-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 171196222
2-[4-bromo-2-(methoxymethyl)phenyl]piperidine
CID 117457372
2-(2,5-dichloro-4-methoxyphenyl)piperidine
CID 82301366
4-methoxy-3-pyrrolidin-2-ylphenol
CID 55297215
2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine
CID 117421939
5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline
CID 66519127
2,5-dimethoxy-N,N-dimethyl-4-pyrrolidin-2-ylaniline
CID 117379645
2-(2-fluoro-5-methoxy-4-methylphenyl)piperidine
CID 84789182

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]pyrrolidine?
The IUPAC name of 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]pyrrolidine (CID 117381690) is 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]pyrrolidine.
What is the SMILES notation for 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]pyrrolidine?
The canonical SMILES for 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]pyrrolidine is COCc1cc(OC)c(OC)cc1C1CCCN1.
What is the InChIKey of 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]pyrrolidine?
The InChIKey is ZSFRQWFEDMDBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-16-9-10-7-13(17-2)14(18-3)8-11(10)12-5-4-6-15-12/h7-8,12,15H,4-6,9H2,1-3H3.
What are the key properties of 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]pyrrolidine?
2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]pyrrolidine has a molecular weight of 251.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dimethoxy-2-(methoxymethyl)phenyl]pyrrolidine is sourced from PubChem (CID 117381690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).