3-(5-tert-butyl-4-methoxy-2-methylphenyl)pyrrolidine

C16H25NO — CID 82498615

IUPAC3-(5-tert-butyl-4-methoxy-2-methylphenyl)pyrrolidine
SMILESCOc1cc(C)c(C2CCNC2)cc1C(C)(C)C
InChIInChI=1S/C16H25NO/c1-11-8-15(18-5)14(16(2,3)4)9-13(11)12-6-7-17-10-12/h8-9,12,17H,6-7,10H2,1-5H3
InChIKeyUPQZYWBFOUEZLD-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.38
Rot. Bonds2

About 3-(5-tert-butyl-4-methoxy-2-methylphenyl)pyrrolidine

3-(5-tert-butyl-4-methoxy-2-methylphenyl)pyrrolidine (PubChem CID 82498615) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-(5-tert-butyl-4-methoxy-2-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(5-tert-butyl-4-methoxy-2-methylphenyl)pyrrolidine
PubChem CID82498615
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-(5-tert-butyl-4-methoxy-2-methylphenyl)pyrrolidine
SMILESCOc1cc(C)c(C2CCNC2)cc1C(C)(C)C
InChIInChI=1S/C16H25NO/c1-11-8-15(18-5)14(16(2,3)4)9-13(11)12-6-7-17-10-12/h8-9,12,17H,6-7,10H2,1-5H3
InChIKeyUPQZYWBFOUEZLD-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-fluoro-4-methoxy-2-methylphenyl)pyrrolidine
CID 84780694
2-(5-tert-butyl-4-methoxy-2-methylphenyl)piperazine
CID 82302997
3-[5-(2-fluoropropan-2-yl)-2,4-dimethoxyphenyl]pyrrolidine
CID 117421917
3-(5-fluoro-2-methoxy-4-methylphenyl)pyrrolidine
CID 84676979
3-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]pyrrolidine
CID 117439944
(3S)-3-(2,5-dimethoxy-4-methylphenyl)piperidine
CID 96674039
3-(3-tert-butyl-2-methoxy-6-methylphenyl)pyrrolidine
CID 117372004
3-(4-chloro-2,5-dimethylphenyl)pyrrolidine
CID 84781090
3-(4-fluoro-2,5-dimethylphenyl)pyrrolidine
CID 84772856
3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine
CID 82134857
3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine
CID 82492093
3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 84686824

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-4-methoxy-2-methylphenyl)pyrrolidine?
The IUPAC name of 3-(5-tert-butyl-4-methoxy-2-methylphenyl)pyrrolidine (CID 82498615) is 3-(5-tert-butyl-4-methoxy-2-methylphenyl)pyrrolidine.
What is the SMILES notation for 3-(5-tert-butyl-4-methoxy-2-methylphenyl)pyrrolidine?
The canonical SMILES for 3-(5-tert-butyl-4-methoxy-2-methylphenyl)pyrrolidine is COc1cc(C)c(C2CCNC2)cc1C(C)(C)C.
What is the InChIKey of 3-(5-tert-butyl-4-methoxy-2-methylphenyl)pyrrolidine?
The InChIKey is UPQZYWBFOUEZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-8-15(18-5)14(16(2,3)4)9-13(11)12-6-7-17-10-12/h8-9,12,17H,6-7,10H2,1-5H3.
What are the key properties of 3-(5-tert-butyl-4-methoxy-2-methylphenyl)pyrrolidine?
3-(5-tert-butyl-4-methoxy-2-methylphenyl)pyrrolidine has a molecular weight of 247.38 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-4-methoxy-2-methylphenyl)pyrrolidine is sourced from PubChem (CID 82498615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).