2-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine

C14H20BrNO — CID 117480566

IUPAC2-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine
SMILESCOc1c(C)cc(Br)c(C)c1C1(C)CCCN1
InChIInChI=1S/C14H20BrNO/c1-9-8-11(15)10(2)12(13(9)17-4)14(3)6-5-7-16-14/h8,16H,5-7H2,1-4H3
InChIKeyYVAKNDWBIBBSNZ-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.67
Rot. Bonds2

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

2-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine (PubChem CID 117480566) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine
PubChem CID117480566
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine
SMILESCOc1c(C)cc(Br)c(C)c1C1(C)CCCN1
InChIInChI=1S/C14H20BrNO/c1-9-8-11(15)10(2)12(13(9)17-4)14(3)6-5-7-16-14/h8,16H,5-7H2,1-4H3
InChIKeyYVAKNDWBIBBSNZ-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine
CID 117387927
2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-2-methylpyrrolidine
CID 117116896
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine
CID 117480650
2-(3-bromo-6-fluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117465124
2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 117396154
2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117386391
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine
CID 117313039
2-(2-bromo-6-methoxyphenyl)-2-methylpyrrolidine
CID 117428399
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpyrrolidine
CID 117377238
2-(2-bromo-5-methoxy-3-methylphenyl)-2-methylpyrrolidine
CID 117457126
2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpyrrolidine
CID 117432844
2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-2-methylpyrrolidine
CID 117495064

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine (CID 117480566) is 2-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine is COc1c(C)cc(Br)c(C)c1C1(C)CCCN1.
What is the InChIKey of 2-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine?
The InChIKey is YVAKNDWBIBBSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-9-8-11(15)10(2)12(13(9)17-4)14(3)6-5-7-16-14/h8,16H,5-7H2,1-4H3.
What are the key properties of 2-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine?
2-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine has a molecular weight of 298.22 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117480566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).