2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine

C14H21NO — CID 116962291

IUPAC2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine
SMILESCOc1cc(C)c(C2CCCN2)c(C)c1C
InChIInChI=1S/C14H21NO/c1-9-8-13(16-4)10(2)11(3)14(9)12-6-5-7-15-12/h8,12,15H,5-7H2,1-4H3
InChIKeyFTTUILYTUQGBBS-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.04
Rot. Bonds2

About 2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine

2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine (PubChem CID 116962291) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine
PubChem CID116962291
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine
SMILESCOc1cc(C)c(C2CCCN2)c(C)c1C
InChIInChI=1S/C14H21NO/c1-9-8-13(16-4)10(2)11(3)14(9)12-6-5-7-15-12/h8,12,15H,5-7H2,1-4H3
InChIKeyFTTUILYTUQGBBS-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 130144394
2,3,5-trimethyl-4-pyrrolidin-2-ylphenol
CID 117116773
2-(2-chloro-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117427671
2-(2-bromo-5,6-dimethoxy-3-methylphenyl)piperidine
CID 117499567
2-(5-fluoro-3-methoxy-2-methylphenyl)pyrrolidine
CID 84677004
5-(4-methoxy-2,3,6-trimethylphenyl)piperazine-2,3-dione
CID 116856067
(2R)-2-(4-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 66518898
2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine
CID 82286064
3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
CID 117376942
2-(2-bromo-4,6-dimethoxyphenyl)pyrrolidine
CID 117460943
2-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)pyrrolidine
CID 117403489
7-methoxy-1,4-dimethyl-2-pyrrolidin-2-ylindole
CID 84631565

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine?
The IUPAC name of 2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine (CID 116962291) is 2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine.
What is the SMILES notation for 2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine?
The canonical SMILES for 2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine is COc1cc(C)c(C2CCCN2)c(C)c1C.
What is the InChIKey of 2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine?
The InChIKey is FTTUILYTUQGBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9-8-13(16-4)10(2)11(3)14(9)12-6-5-7-15-12/h8,12,15H,5-7H2,1-4H3.
What are the key properties of 2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine?
2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine has a molecular weight of 219.33 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,3,6-trimethylphenyl)pyrrolidine is sourced from PubChem (CID 116962291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).