3-(2-methoxyphenyl)-2,3-dimethylpyrrolidine

C13H19NO — CID 62354378

IUPAC3-(2-methoxyphenyl)-2,3-dimethylpyrrolidine
SMILESCOc1ccccc1C1(C)CCNC1C
InChIInChI=1S/C13H19NO/c1-10-13(2,8-9-14-10)11-6-4-5-7-12(11)15-3/h4-7,10,14H,8-9H2,1-3H3
InChIKeyYNUWYFGGOMSCRX-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.33
Rot. Bonds2

About 3-(2-methoxyphenyl)-2,3-dimethylpyrrolidine

3-(2-methoxyphenyl)-2,3-dimethylpyrrolidine (PubChem CID 62354378) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2,3-dimethylpyrrolidine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2,3-dimethylpyrrolidine
PubChem CID62354378
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(2-methoxyphenyl)-2,3-dimethylpyrrolidine
SMILESCOc1ccccc1C1(C)CCNC1C
InChIInChI=1S/C13H19NO/c1-10-13(2,8-9-14-10)11-6-4-5-7-12(11)15-3/h4-7,10,14H,8-9H2,1-3H3
InChIKeyYNUWYFGGOMSCRX-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2,3-dimethylpyrrolidine?
The IUPAC name of 3-(2-methoxyphenyl)-2,3-dimethylpyrrolidine (CID 62354378) is 3-(2-methoxyphenyl)-2,3-dimethylpyrrolidine.
What is the SMILES notation for 3-(2-methoxyphenyl)-2,3-dimethylpyrrolidine?
The canonical SMILES for 3-(2-methoxyphenyl)-2,3-dimethylpyrrolidine is COc1ccccc1C1(C)CCNC1C.
What is the InChIKey of 3-(2-methoxyphenyl)-2,3-dimethylpyrrolidine?
The InChIKey is YNUWYFGGOMSCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-13(2,8-9-14-10)11-6-4-5-7-12(11)15-3/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of 3-(2-methoxyphenyl)-2,3-dimethylpyrrolidine?
3-(2-methoxyphenyl)-2,3-dimethylpyrrolidine has a molecular weight of 205.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2,3-dimethylpyrrolidine is sourced from PubChem (CID 62354378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).