3-(4-methoxyphenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine

C16H25NO — CID 55111942

IUPAC3-(4-methoxyphenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine
SMILESCOc1ccc(C2(C)CCNC2CC(C)C)cc1
InChIInChI=1S/C16H25NO/c1-12(2)11-15-16(3,9-10-17-15)13-5-7-14(18-4)8-6-13/h5-8,12,15,17H,9-11H2,1-4H3
InChIKeyGUGVRJPFQCCGAL-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.36
Rot. Bonds4

About 3-(4-methoxyphenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine

3-(4-methoxyphenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine (PubChem CID 55111942) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine
PubChem CID55111942
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-(4-methoxyphenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine
SMILESCOc1ccc(C2(C)CCNC2CC(C)C)cc1
InChIInChI=1S/C16H25NO/c1-12(2)11-15-16(3,9-10-17-15)13-5-7-14(18-4)8-6-13/h5-8,12,15,17H,9-11H2,1-4H3
InChIKeyGUGVRJPFQCCGAL-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 3-(4-methoxyphenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine (CID 55111942) is 3-(4-methoxyphenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 3-(4-methoxyphenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 3-(4-methoxyphenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine is COc1ccc(C2(C)CCNC2CC(C)C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine?
The InChIKey is GUGVRJPFQCCGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)11-15-16(3,9-10-17-15)13-5-7-14(18-4)8-6-13/h5-8,12,15,17H,9-11H2,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine?
3-(4-methoxyphenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine has a molecular weight of 247.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3-methyl-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 55111942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).