2-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]pyrrolidine

C16H25NO — CID 117371991

IUPAC2-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]pyrrolidine
SMILESCOc1ccc(CC(C)(C)C)cc1C1CCCN1
InChIInChI=1S/C16H25NO/c1-16(2,3)11-12-7-8-15(18-4)13(10-12)14-6-5-9-17-14/h7-8,10,14,17H,5-6,9,11H2,1-4H3
InChIKeyWEJOLHZNLBRJIZ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.71
Rot. Bonds3

About 2-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]pyrrolidine

2-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]pyrrolidine (PubChem CID 117371991) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]pyrrolidine.

Molecular Properties

Compound Name2-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]pyrrolidine
PubChem CID117371991
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]pyrrolidine
SMILESCOc1ccc(CC(C)(C)C)cc1C1CCCN1
InChIInChI=1S/C16H25NO/c1-16(2,3)11-12-7-8-15(18-4)13(10-12)14-6-5-9-17-14/h7-8,10,14,17H,5-6,9,11H2,1-4H3
InChIKeyWEJOLHZNLBRJIZ-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-methoxy-3-[(2R)-pyrrolidin-2-yl]phenyl]acetonitrile
CID 66518964
4-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]piperidine
CID 117408603
4-methoxy-3-[(2R)-pyrrolidin-2-yl]aniline
CID 66518354
4-methoxy-3-pyrrolidin-2-ylphenol
CID 55297215
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine
CID 77131939
(2R)-2-[2-methoxy-5-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
CID 171196000
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
2-[5-(1-fluoroethyl)-2-methoxyphenyl]pyrrolidine
CID 84688515
2-(5-chloro-2-methoxyphenyl)azepane
CID 4015818
(2R)-2-(2-methoxy-5-nitrophenyl)pyrrolidine
CID 66519478
2-(3-methoxynaphthalen-2-yl)pyrrolidine
CID 4540361

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]pyrrolidine?
The IUPAC name of 2-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]pyrrolidine (CID 117371991) is 2-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]pyrrolidine.
What is the SMILES notation for 2-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]pyrrolidine?
The canonical SMILES for 2-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]pyrrolidine is COc1ccc(CC(C)(C)C)cc1C1CCCN1.
What is the InChIKey of 2-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]pyrrolidine?
The InChIKey is WEJOLHZNLBRJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,3)11-12-7-8-15(18-4)13(10-12)14-6-5-9-17-14/h7-8,10,14,17H,5-6,9,11H2,1-4H3.
What are the key properties of 2-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]pyrrolidine?
2-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]pyrrolidine has a molecular weight of 247.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]pyrrolidine is sourced from PubChem (CID 117371991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).