4-methoxy-2-(phenylmethoxymethyl)pyrrolidine

C13H19NO2 — CID 22001421

IUPAC4-methoxy-2-(phenylmethoxymethyl)pyrrolidine
SMILESCOC1CNC(COCc2ccccc2)C1
InChIInChI=1S/C13H19NO2/c1-15-13-7-12(14-8-13)10-16-9-11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3
InChIKeyDSYQRGLRGNFTMM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.58
Rot. Bonds5

About 4-methoxy-2-(phenylmethoxymethyl)pyrrolidine

4-methoxy-2-(phenylmethoxymethyl)pyrrolidine (PubChem CID 22001421) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-methoxy-2-(phenylmethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name4-methoxy-2-(phenylmethoxymethyl)pyrrolidine
PubChem CID22001421
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-methoxy-2-(phenylmethoxymethyl)pyrrolidine
SMILESCOC1CNC(COCc2ccccc2)C1
InChIInChI=1S/C13H19NO2/c1-15-13-7-12(14-8-13)10-16-9-11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3
InChIKeyDSYQRGLRGNFTMM-UHFFFAOYSA-N
XLogP1.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-4-(fluoromethyl)-2-(phenylmethoxymethyl)pyrrolidine
CID 170298793
(2R)-2-(phenylmethoxymethyl)aziridine
CID 101263543
(2R,4R)-2-ethyl-4-phenylmethoxypyrrolidine
CID 71204325
(2S)-2-(phenylmethoxymethyl)azetidine
CID 86324293
(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 119057051
5-[(4-methylphenyl)methoxymethyl]pyrrolidine-3-thiol
CID 18440976
(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
CID 166976209
[(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene
CID 10878630
benzyl (3S,5S)-5-(methoxymethyl)pyrrolidine-3-carboxylate
CID 71148549
[(1R,2R,3R,4R)-4-methoxy-2,3-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene
CID 101171372
(3R,4R,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 46783615
(2S,5S)-1-[(4-fluorophenyl)methyl]-2-methyl-5-(phenylmethoxymethyl)piperazine
CID 58683736

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(phenylmethoxymethyl)pyrrolidine?
The IUPAC name of 4-methoxy-2-(phenylmethoxymethyl)pyrrolidine (CID 22001421) is 4-methoxy-2-(phenylmethoxymethyl)pyrrolidine.
What is the SMILES notation for 4-methoxy-2-(phenylmethoxymethyl)pyrrolidine?
The canonical SMILES for 4-methoxy-2-(phenylmethoxymethyl)pyrrolidine is COC1CNC(COCc2ccccc2)C1.
What is the InChIKey of 4-methoxy-2-(phenylmethoxymethyl)pyrrolidine?
The InChIKey is DSYQRGLRGNFTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-13-7-12(14-8-13)10-16-9-11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3.
What are the key properties of 4-methoxy-2-(phenylmethoxymethyl)pyrrolidine?
4-methoxy-2-(phenylmethoxymethyl)pyrrolidine has a molecular weight of 221.30 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(phenylmethoxymethyl)pyrrolidine is sourced from PubChem (CID 22001421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).