(2R)-2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine

C13H19NO2 — CID 102820162

IUPAC(2R)-2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine
SMILESCOCc1cccc(OC[C@H]2CCCN2)c1
InChIInChI=1S/C13H19NO2/c1-15-9-11-4-2-6-13(8-11)16-10-12-5-3-7-14-12/h2,4,6,8,12,14H,3,5,7,9-10H2,1H3/t12-/m1/s1
InChIKeySTBCRUDHACGIBM-GFCCVEGCSA-N
MW221.30 g/mol
LogP1.96
Rot. Bonds5

About (2R)-2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine

(2R)-2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine (PubChem CID 102820162) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2R)-2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine
PubChem CID102820162
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2R)-2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine
SMILESCOCc1cccc(OC[C@H]2CCCN2)c1
InChIInChI=1S/C13H19NO2/c1-15-9-11-4-2-6-13(8-11)16-10-12-5-3-7-14-12/h2,4,6,8,12,14H,3,5,7,9-10H2,1H3/t12-/m1/s1
InChIKeySTBCRUDHACGIBM-GFCCVEGCSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine
CID 63985573
methyl 3-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate
CID 162750790
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
3-(piperidin-2-ylmethoxy)benzonitrile
CID 63297477
3-[2-[3-(methoxymethyl)phenoxy]ethyl]piperidine
CID 63986374
N-[[3-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603247
N-[3-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]acetamide;hydrochloride
CID 67804532
hydron;(2R)-2-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]pyrrolidine;chloride
CID 69001552
(2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine
CID 59628765
(2S)-2-[(3-nitrophenoxy)methyl]pyrrolidine;hydrochloride
CID 67804264
2-[[3-(1-fluoroethyl)phenoxy]methyl]piperidine
CID 115042134
1-methyl-4-[3-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]pyrazole
CID 91112359

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine?
The IUPAC name of (2R)-2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine (CID 102820162) is (2R)-2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine?
The canonical SMILES for (2R)-2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine is COCc1cccc(OC[C@H]2CCCN2)c1.
What is the InChIKey of (2R)-2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine?
The InChIKey is STBCRUDHACGIBM-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-9-11-4-2-6-13(8-11)16-10-12-5-3-7-14-12/h2,4,6,8,12,14H,3,5,7,9-10H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine?
(2R)-2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine has a molecular weight of 221.30 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine is sourced from PubChem (CID 102820162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).