2-(3-bromo-6-fluoro-2-methoxyphenyl)-2-methylpyrrolidine

C12H15BrFNO — CID 117465124

IUPAC2-(3-bromo-6-fluoro-2-methoxyphenyl)-2-methylpyrrolidine
SMILESCOc1c(Br)ccc(F)c1C1(C)CCCN1
InChIInChI=1S/C12H15BrFNO/c1-12(6-3-7-15-12)10-9(14)5-4-8(13)11(10)16-2/h4-5,15H,3,6-7H2,1-2H3
InChIKeyMTZDAWOGAUSKHC-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.20
Rot. Bonds2

About 2-(3-bromo-6-fluoro-2-methoxyphenyl)-2-methylpyrrolidine

2-(3-bromo-6-fluoro-2-methoxyphenyl)-2-methylpyrrolidine (PubChem CID 117465124) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 2-(3-bromo-6-fluoro-2-methoxyphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(3-bromo-6-fluoro-2-methoxyphenyl)-2-methylpyrrolidine
PubChem CID117465124
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name2-(3-bromo-6-fluoro-2-methoxyphenyl)-2-methylpyrrolidine
SMILESCOc1c(Br)ccc(F)c1C1(C)CCCN1
InChIInChI=1S/C12H15BrFNO/c1-12(6-3-7-15-12)10-9(14)5-4-8(13)11(10)16-2/h4-5,15H,3,6-7H2,1-2H3
InChIKeyMTZDAWOGAUSKHC-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 117396154
2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117326742
2-(3-chloro-2,6-difluorophenyl)-2-methylpyrrolidine
CID 117335369
2-(2-bromo-6-methoxyphenyl)-2-methylpyrrolidine
CID 117428399
2-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine
CID 117480566
2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-2-methylpyrrolidine
CID 117116896
2-(2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 116810545
1-bromo-4-fluoro-2,3-dimethoxybenzene
CID 58420229
2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine
CID 117298992
2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine
CID 117426521
3,4-dimethoxy-2-(2-methylpyrrolidin-2-yl)phenol
CID 117347144
4-fluoro-2-methoxy-3,5-dimethyl-6-(2-methylpyrrolidin-2-yl)phenol
CID 117386397

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-6-fluoro-2-methoxyphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(3-bromo-6-fluoro-2-methoxyphenyl)-2-methylpyrrolidine (CID 117465124) is 2-(3-bromo-6-fluoro-2-methoxyphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(3-bromo-6-fluoro-2-methoxyphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(3-bromo-6-fluoro-2-methoxyphenyl)-2-methylpyrrolidine is COc1c(Br)ccc(F)c1C1(C)CCCN1.
What is the InChIKey of 2-(3-bromo-6-fluoro-2-methoxyphenyl)-2-methylpyrrolidine?
The InChIKey is MTZDAWOGAUSKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-12(6-3-7-15-12)10-9(14)5-4-8(13)11(10)16-2/h4-5,15H,3,6-7H2,1-2H3.
What are the key properties of 2-(3-bromo-6-fluoro-2-methoxyphenyl)-2-methylpyrrolidine?
2-(3-bromo-6-fluoro-2-methoxyphenyl)-2-methylpyrrolidine has a molecular weight of 288.16 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-6-fluoro-2-methoxyphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117465124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).