3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride

C13H20ClNO2 — CID 56830321

IUPAC3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride
SMILESCCOc1ccc(OCC2CCNC2)cc1.Cl
InChIInChI=1S/C13H19NO2.ClH/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;1H
InChIKeyOUKODURPFRNELM-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.50
Rot. Bonds5

About 3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride

3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride (PubChem CID 56830321) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride
PubChem CID56830321
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride
SMILESCCOc1ccc(OCC2CCNC2)cc1.Cl
InChIInChI=1S/C13H19NO2.ClH/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;1H
InChIKeyOUKODURPFRNELM-UHFFFAOYSA-N
XLogP2.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine
CID 86321325
(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487
3-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]pyrrolidine;hydrochloride
CID 53409611
(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
(3S)-3-[(3-ethylphenoxy)methyl]pyrrolidine;hydrochloride
CID 165429467
(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
CID 86322824
N-[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide
CID 86321304
4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
CID 23724366
[4-[[(3S)-pyrrolidin-3-yl]methoxy]phenyl] 2,2-dimethylpropanoate
CID 174567843
ethyl 4-(piperidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830939

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride?
The IUPAC name of 3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride (CID 56830321) is 3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride?
The canonical SMILES for 3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride is CCOc1ccc(OCC2CCNC2)cc1.Cl.
What is the InChIKey of 3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride?
The InChIKey is OUKODURPFRNELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.ClH/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;1H.
What are the key properties of 3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride?
3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 56830321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).