3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine

C13H19NO2 — CID 53414657

IUPAC3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine
SMILESCOc1ccccc1COCC1CCNC1
InChIInChI=1S/C13H19NO2/c1-15-13-5-3-2-4-12(13)10-16-9-11-6-7-14-8-11/h2-5,11,14H,6-10H2,1H3
InChIKeyRKAOFEAINXJGGY-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.82
Rot. Bonds5

About 3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine

3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine (PubChem CID 53414657) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine
PubChem CID53414657
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine
SMILESCOc1ccccc1COCC1CCNC1
InChIInChI=1S/C13H19NO2/c1-15-13-5-3-2-4-12(13)10-16-9-11-6-7-14-8-11/h2-5,11,14H,6-10H2,1H3
InChIKeyRKAOFEAINXJGGY-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylphenyl)methoxymethyl]pyrrolidine
CID 56829929
3-[(5-bromo-2-methoxyphenyl)methoxymethyl]pyrrolidine
CID 62371249
(3R)-3-[(2-chlorophenyl)methoxymethyl]pyrrolidine
CID 86320752
3-[(2-chlorophenyl)methoxymethyl]pyrrolidine
CID 56829907
3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830113
1-(2-methoxyphenyl)-3-pyrrolidin-3-ylpropan-2-one
CID 116583565
3-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine
CID 115070735
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
3-[(5-bromo-2-methoxyphenyl)methoxymethyl]piperidine
CID 62341089
(3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine
CID 86321821
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
4-[(2-methoxy-5-methylphenyl)methoxymethyl]piperidine
CID 55060565

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine?
The IUPAC name of 3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine (CID 53414657) is 3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine.
What is the SMILES notation for 3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine?
The canonical SMILES for 3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine is COc1ccccc1COCC1CCNC1.
What is the InChIKey of 3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine?
The InChIKey is RKAOFEAINXJGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-13-5-3-2-4-12(13)10-16-9-11-6-7-14-8-11/h2-5,11,14H,6-10H2,1H3.
What are the key properties of 3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine?
3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine has a molecular weight of 221.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine is sourced from PubChem (CID 53414657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).