(3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine

C13H19NO2 — CID 86321821

IUPAC(3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine
SMILESCOc1ccc(COC[C@@H]2CCNC2)cc1
InChIInChI=1S/C13H19NO2/c1-15-13-4-2-11(3-5-13)9-16-10-12-6-7-14-8-12/h2-5,12,14H,6-10H2,1H3/t12-/m1/s1
InChIKeyMSTVKMYJSJSUHV-GFCCVEGCSA-N
MW221.30 g/mol
LogP1.82
Rot. Bonds5

About (3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine

(3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine (PubChem CID 86321821) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine
PubChem CID86321821
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine
SMILESCOc1ccc(COC[C@@H]2CCNC2)cc1
InChIInChI=1S/C13H19NO2/c1-15-13-4-2-11(3-5-13)9-16-10-12-6-7-14-8-12/h2-5,12,14H,6-10H2,1H3/t12-/m1/s1
InChIKeyMSTVKMYJSJSUHV-GFCCVEGCSA-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-[(4-iodophenyl)methoxymethyl]pyrrolidine
CID 56830526
(3R)-3-(phenylmethoxymethyl)pyrrolidine
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(3S)-3-[(4-propan-2-ylphenyl)methoxymethyl]pyrrolidine
CID 86325447
methyl 4-[[(3R)-pyrrolidin-3-yl]methoxymethyl]benzoate
CID 86321712
4-[(4-ethylphenyl)methoxymethyl]piperidine
CID 55060614
2-methoxy-4-(pyrrolidin-3-ylmethoxymethyl)benzonitrile
CID 106792418
(3R)-3-[(4-methylphenyl)methoxymethyl]piperidine
CID 26190607
4-(pyrrolidin-3-ylmethoxymethyl)benzamide
CID 55064845
3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine
CID 53414657
(3R)-3-[(4-bromophenyl)methoxymethyl]piperidine
CID 35754092
3-[(4-propan-2-ylphenyl)methoxymethyl]piperidine
CID 55060808
3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine
CID 116925514

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine?
The IUPAC name of (3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine (CID 86321821) is (3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine.
What is the SMILES notation for (3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine?
The canonical SMILES for (3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine is COc1ccc(COC[C@@H]2CCNC2)cc1.
What is the InChIKey of (3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine?
The InChIKey is MSTVKMYJSJSUHV-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-13-4-2-11(3-5-13)9-16-10-12-6-7-14-8-12/h2-5,12,14H,6-10H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine?
(3R)-3-[(4-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 (3R)-3-[(4-methoxyphenyl)methoxymethyl]pyrrolidine is sourced from PubChem (CID 86321821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).