3-(5-methoxy-2-methylphenoxy)pyrrolidine

C12H17NO2 — CID 84675320

IUPAC3-(5-methoxy-2-methylphenoxy)pyrrolidine
SMILESCOc1ccc(C)c(OC2CCNC2)c1
InChIInChI=1S/C12H17NO2/c1-9-3-4-10(14-2)7-12(9)15-11-5-6-13-8-11/h3-4,7,11,13H,5-6,8H2,1-2H3
InChIKeyMMKIVGDVQQZDIG-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.74
Rot. Bonds3

About 3-(5-methoxy-2-methylphenoxy)pyrrolidine

3-(5-methoxy-2-methylphenoxy)pyrrolidine (PubChem CID 84675320) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(5-methoxy-2-methylphenoxy)pyrrolidine.

Molecular Properties

Compound Name3-(5-methoxy-2-methylphenoxy)pyrrolidine
PubChem CID84675320
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(5-methoxy-2-methylphenoxy)pyrrolidine
SMILESCOc1ccc(C)c(OC2CCNC2)c1
InChIInChI=1S/C12H17NO2/c1-9-3-4-10(14-2)7-12(9)15-11-5-6-13-8-11/h3-4,7,11,13H,5-6,8H2,1-2H3
InChIKeyMMKIVGDVQQZDIG-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-5-methoxyphenoxy)pyrrolidine
CID 84691503
(3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine
CID 86322342
(3S)-3-(5-bromo-2-methylphenoxy)pyrrolidine
CID 107284590
(3R)-3-(3,4-dimethoxyphenoxy)pyrrolidine;hydrochloride
CID 129319949
(3S)-3-(4-methoxy-2-nitrophenoxy)pyrrolidine
CID 115460380
3-(2-fluoro-4-methoxyphenoxy)piperidine
CID 84689805
4-(2-bromo-4-methoxyphenoxy)piperidine
CID 56830635
3-(4-methylphenoxy)pyrrolidine
CID 18337173
(3S)-3-(4-chloro-3-methylphenoxy)pyrrolidine
CID 86314613
(3S)-3-(3,5-dimethylphenoxy)pyrrolidine
CID 26192104
3-methoxy-4-[(3R)-pyrrolidin-3-yl]oxyaniline
CID 141190675
(3R)-3-(3,4-dimethylphenoxy)piperidine
CID 26191417

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-2-methylphenoxy)pyrrolidine?
The IUPAC name of 3-(5-methoxy-2-methylphenoxy)pyrrolidine (CID 84675320) is 3-(5-methoxy-2-methylphenoxy)pyrrolidine.
What is the SMILES notation for 3-(5-methoxy-2-methylphenoxy)pyrrolidine?
The canonical SMILES for 3-(5-methoxy-2-methylphenoxy)pyrrolidine is COc1ccc(C)c(OC2CCNC2)c1.
What is the InChIKey of 3-(5-methoxy-2-methylphenoxy)pyrrolidine?
The InChIKey is MMKIVGDVQQZDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-3-4-10(14-2)7-12(9)15-11-5-6-13-8-11/h3-4,7,11,13H,5-6,8H2,1-2H3.
What are the key properties of 3-(5-methoxy-2-methylphenoxy)pyrrolidine?
3-(5-methoxy-2-methylphenoxy)pyrrolidine has a molecular weight of 207.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-2-methylphenoxy)pyrrolidine is sourced from PubChem (CID 84675320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).