3-[2-[(3,4-dimethoxyphenyl)methoxy]ethyl]pyrrolidine

C15H23NO3 — CID 114796045

IUPAC3-[2-[(3,4-dimethoxyphenyl)methoxy]ethyl]pyrrolidine
SMILESCOc1ccc(COCCC2CCNC2)cc1OC
InChIInChI=1S/C15H23NO3/c1-17-14-4-3-13(9-15(14)18-2)11-19-8-6-12-5-7-16-10-12/h3-4,9,12,16H,5-8,10-11H2,1-2H3
InChIKeyXFGRGEMBWBICMM-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.22
Rot. Bonds7

About 3-[2-[(3,4-dimethoxyphenyl)methoxy]ethyl]pyrrolidine

3-[2-[(3,4-dimethoxyphenyl)methoxy]ethyl]pyrrolidine (PubChem CID 114796045) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[2-[(3,4-dimethoxyphenyl)methoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-[(3,4-dimethoxyphenyl)methoxy]ethyl]pyrrolidine
PubChem CID114796045
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[2-[(3,4-dimethoxyphenyl)methoxy]ethyl]pyrrolidine
SMILESCOc1ccc(COCCC2CCNC2)cc1OC
InChIInChI=1S/C15H23NO3/c1-17-14-4-3-13(9-15(14)18-2)11-19-8-6-12-5-7-16-10-12/h3-4,9,12,16H,5-8,10-11H2,1-2H3
InChIKeyXFGRGEMBWBICMM-UHFFFAOYSA-N
XLogP2.22
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(4-methoxy-3-nitrophenyl)methoxy]ethyl]pyrrolidine
CID 114795948
3-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]pyrrolidine
CID 167890113
methyl 4-(2-pyrrolidin-3-ylethoxymethyl)benzoate
CID 106940966
2-methoxy-4-(pyrrolidin-3-ylmethoxymethyl)benzonitrile
CID 106792418
3-[2-[(3-nitrophenyl)methoxy]ethyl]pyrrolidine
CID 114795921
(3R)-3-[2-[(3,5-dimethoxyphenyl)methoxy]ethyl]piperidine
CID 86321802
(3S)-3-[2-[(4-methylphenyl)methoxy]ethyl]piperidine
CID 86320853
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
3-[2-[(3-fluoro-4-nitrophenyl)methoxy]ethyl]pyrrolidine
CID 114795960
3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine
CID 174896705
(3S)-3-[2-[(4-iodophenyl)methoxy]ethyl]piperidine
CID 86321735
[5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine
CID 114157330

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3,4-dimethoxyphenyl)methoxy]ethyl]pyrrolidine?
The IUPAC name of 3-[2-[(3,4-dimethoxyphenyl)methoxy]ethyl]pyrrolidine (CID 114796045) is 3-[2-[(3,4-dimethoxyphenyl)methoxy]ethyl]pyrrolidine.
What is the SMILES notation for 3-[2-[(3,4-dimethoxyphenyl)methoxy]ethyl]pyrrolidine?
The canonical SMILES for 3-[2-[(3,4-dimethoxyphenyl)methoxy]ethyl]pyrrolidine is COc1ccc(COCCC2CCNC2)cc1OC.
What is the InChIKey of 3-[2-[(3,4-dimethoxyphenyl)methoxy]ethyl]pyrrolidine?
The InChIKey is XFGRGEMBWBICMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-17-14-4-3-13(9-15(14)18-2)11-19-8-6-12-5-7-16-10-12/h3-4,9,12,16H,5-8,10-11H2,1-2H3.
What are the key properties of 3-[2-[(3,4-dimethoxyphenyl)methoxy]ethyl]pyrrolidine?
3-[2-[(3,4-dimethoxyphenyl)methoxy]ethyl]pyrrolidine has a molecular weight of 265.35 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3,4-dimethoxyphenyl)methoxy]ethyl]pyrrolidine is sourced from PubChem (CID 114796045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).