2-(4-methoxyphenyl)-5-methylpyrrolidine

C12H17NO — CID 83636943

IUPAC2-(4-methoxyphenyl)-5-methylpyrrolidine
SMILESCOc1ccc(C2CCC(C)N2)cc1
InChIInChI=1S/C12H17NO/c1-9-3-8-12(13-9)10-4-6-11(14-2)7-5-10/h4-7,9,12-13H,3,8H2,1-2H3
InChIKeyBRHHKEKZXYCLDU-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.51
Rot. Bonds2

About 2-(4-methoxyphenyl)-5-methylpyrrolidine

2-(4-methoxyphenyl)-5-methylpyrrolidine (PubChem CID 83636943) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-methylpyrrolidine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-methylpyrrolidine
PubChem CID83636943
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(4-methoxyphenyl)-5-methylpyrrolidine
SMILESCOc1ccc(C2CCC(C)N2)cc1
InChIInChI=1S/C12H17NO/c1-9-3-8-12(13-9)10-4-6-11(14-2)7-5-10/h4-7,9,12-13H,3,8H2,1-2H3
InChIKeyBRHHKEKZXYCLDU-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-methylpyrrolidine?
The IUPAC name of 2-(4-methoxyphenyl)-5-methylpyrrolidine (CID 83636943) is 2-(4-methoxyphenyl)-5-methylpyrrolidine.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-methylpyrrolidine?
The canonical SMILES for 2-(4-methoxyphenyl)-5-methylpyrrolidine is COc1ccc(C2CCC(C)N2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-methylpyrrolidine?
The InChIKey is BRHHKEKZXYCLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-3-8-12(13-9)10-4-6-11(14-2)7-5-10/h4-7,9,12-13H,3,8H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-5-methylpyrrolidine?
2-(4-methoxyphenyl)-5-methylpyrrolidine has a molecular weight of 191.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-methylpyrrolidine is sourced from PubChem (CID 83636943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).