3-(3-tert-butyl-2-methoxy-6-methylphenyl)pyrrolidine

C16H25NO — CID 117372004

IUPAC3-(3-tert-butyl-2-methoxy-6-methylphenyl)pyrrolidine
SMILESCOc1c(C(C)(C)C)ccc(C)c1C1CCNC1
InChIInChI=1S/C16H25NO/c1-11-6-7-13(16(2,3)4)15(18-5)14(11)12-8-9-17-10-12/h6-7,12,17H,8-10H2,1-5H3
InChIKeyFLCUIEQQBMOZQI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.38
Rot. Bonds2

About 3-(3-tert-butyl-2-methoxy-6-methylphenyl)pyrrolidine

3-(3-tert-butyl-2-methoxy-6-methylphenyl)pyrrolidine (PubChem CID 117372004) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-(3-tert-butyl-2-methoxy-6-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(3-tert-butyl-2-methoxy-6-methylphenyl)pyrrolidine
PubChem CID117372004
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-(3-tert-butyl-2-methoxy-6-methylphenyl)pyrrolidine
SMILESCOc1c(C(C)(C)C)ccc(C)c1C1CCNC1
InChIInChI=1S/C16H25NO/c1-11-6-7-13(16(2,3)4)15(18-5)14(11)12-8-9-17-10-12/h6-7,12,17H,8-10H2,1-5H3
InChIKeyFLCUIEQQBMOZQI-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

2-(3-tert-butyl-2-methoxy-6-methylphenyl)piperidine
CID 117408578
3-(3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117293921
3-(2-fluoro-3,6-dimethylphenyl)pyrrolidine
CID 84772859
3-(5-tert-butyl-4-methoxy-2-methylphenyl)pyrrolidine
CID 82498615
(3S)-3-(2,6-dimethylphenyl)pyrrolidine
CID 93478436
3-(2-bromo-6-methoxy-3-methylphenyl)pyrrolidine
CID 84808969
3-(6-chloro-3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117352217
2-methoxy-6-pyrrolidin-3-yl-3-(trifluoromethyl)phenol
CID 84710536
3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride
CID 169498562
3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 117392479
3-chloro-2-methoxy-5-methyl-4-pyrrolidin-3-ylphenol
CID 117356276
3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol
CID 131080650

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-2-methoxy-6-methylphenyl)pyrrolidine?
The IUPAC name of 3-(3-tert-butyl-2-methoxy-6-methylphenyl)pyrrolidine (CID 117372004) is 3-(3-tert-butyl-2-methoxy-6-methylphenyl)pyrrolidine.
What is the SMILES notation for 3-(3-tert-butyl-2-methoxy-6-methylphenyl)pyrrolidine?
The canonical SMILES for 3-(3-tert-butyl-2-methoxy-6-methylphenyl)pyrrolidine is COc1c(C(C)(C)C)ccc(C)c1C1CCNC1.
What is the InChIKey of 3-(3-tert-butyl-2-methoxy-6-methylphenyl)pyrrolidine?
The InChIKey is FLCUIEQQBMOZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-6-7-13(16(2,3)4)15(18-5)14(11)12-8-9-17-10-12/h6-7,12,17H,8-10H2,1-5H3.
What are the key properties of 3-(3-tert-butyl-2-methoxy-6-methylphenyl)pyrrolidine?
3-(3-tert-butyl-2-methoxy-6-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-(3-tert-butyl-2-methoxy-6-methylphenyl)pyrrolidine is sourced from PubChem (CID 117372004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).