(3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine

C13H19NO2 — CID 86321325

IUPAC(3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine
SMILESCCOc1ccc(OC[C@@H]2CCNC2)cc1
InChIInChI=1S/C13H19NO2/c1-2-15-12-3-5-13(6-4-12)16-10-11-7-8-14-9-11/h3-6,11,14H,2,7-10H2,1H3/t11-/m1/s1
InChIKeyTVMJHKSXEUKCCT-LLVKDONJSA-N
MW221.30 g/mol
LogP2.07
Rot. Bonds5

About (3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine

(3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine (PubChem CID 86321325) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine
PubChem CID86321325
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine
SMILESCCOc1ccc(OC[C@@H]2CCNC2)cc1
InChIInChI=1S/C13H19NO2/c1-2-15-12-3-5-13(6-4-12)16-10-11-7-8-14-9-11/h3-6,11,14H,2,7-10H2,1H3/t11-/m1/s1
InChIKeyTVMJHKSXEUKCCT-LLVKDONJSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830321
(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487
(3S)-3-[(3,4-dimethylphenoxy)methyl]pyrrolidine
CID 86321220
(3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 58737388
3-[[4-(2-methoxyethyl)phenoxy]methyl]pyrrolidine
CID 55064658
(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
CID 86322824
N-[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide
CID 86321304
[4-[[(3S)-pyrrolidin-3-yl]methoxy]phenyl] 2,2-dimethylpropanoate
CID 174567843
3-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]pyrrolidine;hydrochloride
CID 53409611
4-[(4-ethoxyphenyl)methyl]piperidine
CID 4778265
(3R)-3-[(3,4-difluorophenoxy)methyl]pyrrolidine
CID 86317833
(3S)-3-[(3-ethylphenoxy)methyl]pyrrolidine;hydrochloride
CID 165429467

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine?
The IUPAC name of (3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine (CID 86321325) is (3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine.
What is the SMILES notation for (3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine?
The canonical SMILES for (3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine is CCOc1ccc(OC[C@@H]2CCNC2)cc1.
What is the InChIKey of (3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine?
The InChIKey is TVMJHKSXEUKCCT-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-15-12-3-5-13(6-4-12)16-10-11-7-8-14-9-11/h3-6,11,14H,2,7-10H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine?
(3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine has a molecular weight of 221.30 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine is sourced from PubChem (CID 86321325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).