3-(2-methoxyphenyl)-3-methylpyrrolidine

C12H17NO — CID 62354573

IUPAC3-(2-methoxyphenyl)-3-methylpyrrolidine
SMILESCOc1ccccc1C1(C)CCNC1
InChIInChI=1S/C12H17NO/c1-12(7-8-13-9-12)10-5-3-4-6-11(10)14-2/h3-6,13H,7-9H2,1-2H3
InChIKeyOCIBZPZOMYJSDF-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.95
Rot. Bonds2

About 3-(2-methoxyphenyl)-3-methylpyrrolidine

3-(2-methoxyphenyl)-3-methylpyrrolidine (PubChem CID 62354573) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-3-methylpyrrolidine
PubChem CID62354573
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-(2-methoxyphenyl)-3-methylpyrrolidine
SMILESCOc1ccccc1C1(C)CCNC1
InChIInChI=1S/C12H17NO/c1-12(7-8-13-9-12)10-5-3-4-6-11(10)14-2/h3-6,13H,7-9H2,1-2H3
InChIKeyOCIBZPZOMYJSDF-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethoxy-3-methoxyphenyl)-3-methylpyrrolidine
CID 90993861
3-(2-methoxyphenyl)-3,5,5-trimethylpiperidine
CID 82290208
3-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine
CID 83693943
3-(2-bromophenyl)-3-methylpyrrolidine
CID 62354169
4-(2-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 82290945
3-methoxy-3-(2-methoxyphenyl)piperidine
CID 83822639
3-methyl-3-phenylpyrrolidine
CID 21098616
3-(2-methoxyphenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145179
[2-(3-methylpyrrolidin-3-yl)anilino]methanol
CID 70950675
1-(1-fluorocyclopropyl)-2-methoxybenzene
CID 22940038
7-methoxyspiro[1,2-dihydroindole-3,4'-piperidine]
CID 138594581
4-(2,5-dimethoxyphenyl)-4-methylpiperidine
CID 63156571

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-3-methylpyrrolidine?
The IUPAC name of 3-(2-methoxyphenyl)-3-methylpyrrolidine (CID 62354573) is 3-(2-methoxyphenyl)-3-methylpyrrolidine.
What is the SMILES notation for 3-(2-methoxyphenyl)-3-methylpyrrolidine?
The canonical SMILES for 3-(2-methoxyphenyl)-3-methylpyrrolidine is COc1ccccc1C1(C)CCNC1.
What is the InChIKey of 3-(2-methoxyphenyl)-3-methylpyrrolidine?
The InChIKey is OCIBZPZOMYJSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(7-8-13-9-12)10-5-3-4-6-11(10)14-2/h3-6,13H,7-9H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-3-methylpyrrolidine?
3-(2-methoxyphenyl)-3-methylpyrrolidine has a molecular weight of 191.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-3-methylpyrrolidine is sourced from PubChem (CID 62354573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).