(3R)-3-(4-ethyl-2-methoxyphenoxy)pyrrolidine

C13H19NO2 — CID 107664998

IUPAC(3R)-3-(4-ethyl-2-methoxyphenoxy)pyrrolidine
SMILESCCc1ccc(O[C@@H]2CCNC2)c(OC)c1
InChIInChI=1S/C13H19NO2/c1-3-10-4-5-12(13(8-10)15-2)16-11-6-7-14-9-11/h4-5,8,11,14H,3,6-7,9H2,1-2H3/t11-/m1/s1
InChIKeyUHFDMDACQXMIJC-LLVKDONJSA-N
MW221.30 g/mol
LogP2.00
Rot. Bonds4

About (3R)-3-(4-ethyl-2-methoxyphenoxy)pyrrolidine

(3R)-3-(4-ethyl-2-methoxyphenoxy)pyrrolidine (PubChem CID 107664998) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (3R)-3-(4-ethyl-2-methoxyphenoxy)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(4-ethyl-2-methoxyphenoxy)pyrrolidine
PubChem CID107664998
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(3R)-3-(4-ethyl-2-methoxyphenoxy)pyrrolidine
SMILESCCc1ccc(O[C@@H]2CCNC2)c(OC)c1
InChIInChI=1S/C13H19NO2/c1-3-10-4-5-12(13(8-10)15-2)16-11-6-7-14-9-11/h4-5,8,11,14H,3,6-7,9H2,1-2H3/t11-/m1/s1
InChIKeyUHFDMDACQXMIJC-LLVKDONJSA-N
XLogP2.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methoxy-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]methanol
CID 107743165
(3S)-3-(2-chloro-4-ethylphenoxy)pyrrolidine
CID 86322321
3-methoxy-4-[(3R)-pyrrolidin-3-yl]oxyaniline
CID 141190675
4-(2-methoxy-4-propylphenoxy)piperidine;hydrochloride
CID 56831182
4-(2-methoxy-4-prop-2-enylphenoxy)piperidine
CID 56830913
2-(4-methoxy-3-piperidin-3-yloxyphenyl)ethanol
CID 115005664
3-(4-ethyl-2-methoxyphenoxy)cyclobutan-1-ol
CID 107669388
(3R)-3-(3,4-dimethoxyphenoxy)pyrrolidine;hydrochloride
CID 129319949
3-(2-chloro-4-ethylphenoxy)piperidine;hydrochloride
CID 56830828
3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine
CID 117489948
3-(4-ethyl-2-methoxyphenoxy)-N-methylcyclobutan-1-amine
CID 107669459
(3S)-3-(3-ethylphenoxy)pyrrolidine
CID 26192115

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-ethyl-2-methoxyphenoxy)pyrrolidine?
The IUPAC name of (3R)-3-(4-ethyl-2-methoxyphenoxy)pyrrolidine (CID 107664998) is (3R)-3-(4-ethyl-2-methoxyphenoxy)pyrrolidine.
What is the SMILES notation for (3R)-3-(4-ethyl-2-methoxyphenoxy)pyrrolidine?
The canonical SMILES for (3R)-3-(4-ethyl-2-methoxyphenoxy)pyrrolidine is CCc1ccc(O[C@@H]2CCNC2)c(OC)c1.
What is the InChIKey of (3R)-3-(4-ethyl-2-methoxyphenoxy)pyrrolidine?
The InChIKey is UHFDMDACQXMIJC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-10-4-5-12(13(8-10)15-2)16-11-6-7-14-9-11/h4-5,8,11,14H,3,6-7,9H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-3-(4-ethyl-2-methoxyphenoxy)pyrrolidine?
(3R)-3-(4-ethyl-2-methoxyphenoxy)pyrrolidine has a molecular weight of 221.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-ethyl-2-methoxyphenoxy)pyrrolidine is sourced from PubChem (CID 107664998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).