2-(2-bromo-5-methoxy-3-methylphenyl)-2-methylpyrrolidine

C13H18BrNO — CID 117457126

IUPAC2-(2-bromo-5-methoxy-3-methylphenyl)-2-methylpyrrolidine
SMILESCOc1cc(C)c(Br)c(C2(C)CCCN2)c1
InChIInChI=1S/C13H18BrNO/c1-9-7-10(16-3)8-11(12(9)14)13(2)5-4-6-15-13/h7-8,15H,4-6H2,1-3H3
InChIKeyVUSSWRHFONXFCZ-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.36
Rot. Bonds2

About 2-(2-bromo-5-methoxy-3-methylphenyl)-2-methylpyrrolidine

2-(2-bromo-5-methoxy-3-methylphenyl)-2-methylpyrrolidine (PubChem CID 117457126) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxy-3-methylphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(2-bromo-5-methoxy-3-methylphenyl)-2-methylpyrrolidine
PubChem CID117457126
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-(2-bromo-5-methoxy-3-methylphenyl)-2-methylpyrrolidine
SMILESCOc1cc(C)c(Br)c(C2(C)CCCN2)c1
InChIInChI=1S/C13H18BrNO/c1-9-7-10(16-3)8-11(12(9)14)13(2)5-4-6-15-13/h7-8,15H,4-6H2,1-3H3
InChIKeyVUSSWRHFONXFCZ-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methoxy-2-methylphenyl)-2-methylpyrrolidine
CID 117293900
2-(4-methoxy-2-methylphenyl)-2-methylazepane
CID 79118168
2-(2-bromo-3-methylphenyl)-2-methylpyrrolidine
CID 117388194
2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine
CID 117298992
2-(2,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117343013
4-methoxy-N,N-dimethyl-2-(2-methylpyrrolidin-2-yl)aniline
CID 117341086
2-(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)-2-methylpyrrolidine
CID 117495064
2-bromo-3,4-dimethyl-6-(2-methylpyrrolidin-2-yl)phenol
CID 117457129
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpyrrolidine
CID 117377238
2-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-methylpyrrolidine
CID 117405565
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117386391

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxy-3-methylphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(2-bromo-5-methoxy-3-methylphenyl)-2-methylpyrrolidine (CID 117457126) is 2-(2-bromo-5-methoxy-3-methylphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(2-bromo-5-methoxy-3-methylphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(2-bromo-5-methoxy-3-methylphenyl)-2-methylpyrrolidine is COc1cc(C)c(Br)c(C2(C)CCCN2)c1.
What is the InChIKey of 2-(2-bromo-5-methoxy-3-methylphenyl)-2-methylpyrrolidine?
The InChIKey is VUSSWRHFONXFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9-7-10(16-3)8-11(12(9)14)13(2)5-4-6-15-13/h7-8,15H,4-6H2,1-3H3.
What are the key properties of 2-(2-bromo-5-methoxy-3-methylphenyl)-2-methylpyrrolidine?
2-(2-bromo-5-methoxy-3-methylphenyl)-2-methylpyrrolidine has a molecular weight of 284.20 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxy-3-methylphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117457126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).