2-[4-(2-methoxy-2-methylpropyl)phenyl]pyrrolidine

C15H23NO — CID 117116726

IUPAC2-[4-(2-methoxy-2-methylpropyl)phenyl]pyrrolidine
SMILESCOC(C)(C)Cc1ccc(C2CCCN2)cc1
InChIInChI=1S/C15H23NO/c1-15(2,17-3)11-12-6-8-13(9-7-12)14-5-4-10-16-14/h6-9,14,16H,4-5,10-11H2,1-3H3
InChIKeyWBTQEVUGJCAGGA-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.08
Rot. Bonds4

About 2-[4-(2-methoxy-2-methylpropyl)phenyl]pyrrolidine

2-[4-(2-methoxy-2-methylpropyl)phenyl]pyrrolidine (PubChem CID 117116726) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[4-(2-methoxy-2-methylpropyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name2-[4-(2-methoxy-2-methylpropyl)phenyl]pyrrolidine
PubChem CID117116726
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[4-(2-methoxy-2-methylpropyl)phenyl]pyrrolidine
SMILESCOC(C)(C)Cc1ccc(C2CCCN2)cc1
InChIInChI=1S/C15H23NO/c1-15(2,17-3)11-12-6-8-13(9-7-12)14-5-4-10-16-14/h6-9,14,16H,4-5,10-11H2,1-3H3
InChIKeyWBTQEVUGJCAGGA-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3-methoxy-3-methylbutyl)phenyl]pyrrolidine
CID 117116747
2-methyl-4-(4-pyrrolidin-2-ylphenyl)butan-2-ol
CID 117116746
methyl 2-[4-[(2R)-pyrrolidin-2-yl]phenyl]acetate
CID 66518883
methyl 2-(4-pyrrolidin-2-ylphenyl)acetate
CID 70987357
5-[4-(2-methoxy-2-methylpropyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117116969
(2R)-2-(4-benzylphenyl)pyrrolidine
CID 66519680
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
2-[4-(5,5-dimethylhexyl)phenyl]pyrrolidine;2-methylpropane
CID 166169217
2-(4-tert-butylphenyl)piperidine
CID 4137790
2-[4-(dimethoxymethyl)phenyl]pyrrolidine
CID 84788037
(2R)-2-[4-(4-methylphenyl)phenyl]pyrrolidine
CID 66519668
2-(4-chlorophenyl)pyrrolidine;ethane
CID 177172941

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxy-2-methylpropyl)phenyl]pyrrolidine?
The IUPAC name of 2-[4-(2-methoxy-2-methylpropyl)phenyl]pyrrolidine (CID 117116726) is 2-[4-(2-methoxy-2-methylpropyl)phenyl]pyrrolidine.
What is the SMILES notation for 2-[4-(2-methoxy-2-methylpropyl)phenyl]pyrrolidine?
The canonical SMILES for 2-[4-(2-methoxy-2-methylpropyl)phenyl]pyrrolidine is COC(C)(C)Cc1ccc(C2CCCN2)cc1.
What is the InChIKey of 2-[4-(2-methoxy-2-methylpropyl)phenyl]pyrrolidine?
The InChIKey is WBTQEVUGJCAGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2,17-3)11-12-6-8-13(9-7-12)14-5-4-10-16-14/h6-9,14,16H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[4-(2-methoxy-2-methylpropyl)phenyl]pyrrolidine?
2-[4-(2-methoxy-2-methylpropyl)phenyl]pyrrolidine has a molecular weight of 233.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxy-2-methylpropyl)phenyl]pyrrolidine is sourced from PubChem (CID 117116726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).