2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-2-methylpyrrolidine

C15H22BrNO — CID 117116896

IUPAC2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-2-methylpyrrolidine
SMILESCOc1c(C)c(C)c(C2(C)CCCN2)c(C)c1Br
InChIInChI=1S/C15H22BrNO/c1-9-10(2)14(18-5)13(16)11(3)12(9)15(4)7-6-8-17-15/h17H,6-8H2,1-5H3
InChIKeyFNKVFNXEJVZDCS-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.98
Rot. Bonds2

About 2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-2-methylpyrrolidine

2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-2-methylpyrrolidine (PubChem CID 117116896) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-2-methylpyrrolidine
PubChem CID117116896
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-2-methylpyrrolidine
SMILESCOc1c(C)c(C)c(C2(C)CCCN2)c(C)c1Br
InChIInChI=1S/C15H22BrNO/c1-9-10(2)14(18-5)13(16)11(3)12(9)15(4)7-6-8-17-15/h17H,6-8H2,1-5H3
InChIKeyFNKVFNXEJVZDCS-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine
CID 117480566
4-fluoro-2-methoxy-3,5-dimethyl-6-(2-methylpyrrolidin-2-yl)phenol
CID 117386397
1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopropan-1-amine
CID 117112420
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine
CID 117387927
2-(3-bromo-6-fluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117465124
2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 117396154
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpyrrolidine
CID 117377238
[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopentyl]methanamine
CID 117113313
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine
CID 117313039
2-(2-bromo-6-methoxyphenyl)-2-methylpyrrolidine
CID 117428399
2-(2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 116810545
1-[1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)cyclopropyl]ethanamine
CID 117118377

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-2-methylpyrrolidine (CID 117116896) is 2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-2-methylpyrrolidine is COc1c(C)c(C)c(C2(C)CCCN2)c(C)c1Br.
What is the InChIKey of 2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-2-methylpyrrolidine?
The InChIKey is FNKVFNXEJVZDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-9-10(2)14(18-5)13(16)11(3)12(9)15(4)7-6-8-17-15/h17H,6-8H2,1-5H3.
What are the key properties of 2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-2-methylpyrrolidine?
2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-2-methylpyrrolidine has a molecular weight of 312.25 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117116896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).