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

C12H16BrNO — CID 117428409

IUPAC2-(5-bromo-2-methoxy-3-methylphenyl)pyrrolidine
SMILESCOc1c(C)cc(Br)cc1C1CCCN1
InChIInChI=1S/C12H16BrNO/c1-8-6-9(13)7-10(12(8)15-2)11-4-3-5-14-11/h6-7,11,14H,3-5H2,1-2H3
InChIKeyXVAPNZYUCUCCDN-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.19
Rot. Bonds2

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

2-(5-bromo-2-methoxy-3-methylphenyl)pyrrolidine (PubChem CID 117428409) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxy-3-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxy-3-methylphenyl)pyrrolidine
PubChem CID117428409
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-(5-bromo-2-methoxy-3-methylphenyl)pyrrolidine
SMILESCOc1c(C)cc(Br)cc1C1CCCN1
InChIInChI=1S/C12H16BrNO/c1-8-6-9(13)7-10(12(8)15-2)11-4-3-5-14-11/h6-7,11,14H,3-5H2,1-2H3
InChIKeyXVAPNZYUCUCCDN-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dibromo-2-methoxyphenyl)pyrrolidine
CID 3973161
2-(2,5-dimethoxy-3-methylphenyl)pyrrolidine
CID 84686830
2-(5-bromo-3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 117483291
2-(4-methoxy-2,3,5-trimethylphenyl)pyrrolidine
CID 82286064
4-bromo-2-methyl-6-pyrrolidin-2-ylphenol
CID 117393322
2-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine
CID 117497494
2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine
CID 117489210
(2R)-2-(4-methoxy-3,5-dimethylphenyl)pyrrolidine
CID 66518898
2-(4-methoxy-2,3,5-trimethylphenyl)piperidine
CID 82290366
(2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine
CID 66518820
2-(3,5-diiodo-2-methoxyphenyl)pyrrolidine
CID 165356724
2-methoxy-5,6-dimethyl-3-piperidin-2-ylphenol
CID 117343133

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxy-3-methylphenyl)pyrrolidine?
The IUPAC name of 2-(5-bromo-2-methoxy-3-methylphenyl)pyrrolidine (CID 117428409) is 2-(5-bromo-2-methoxy-3-methylphenyl)pyrrolidine.
What is the SMILES notation for 2-(5-bromo-2-methoxy-3-methylphenyl)pyrrolidine?
The canonical SMILES for 2-(5-bromo-2-methoxy-3-methylphenyl)pyrrolidine is COc1c(C)cc(Br)cc1C1CCCN1.
What is the InChIKey of 2-(5-bromo-2-methoxy-3-methylphenyl)pyrrolidine?
The InChIKey is XVAPNZYUCUCCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-8-6-9(13)7-10(12(8)15-2)11-4-3-5-14-11/h6-7,11,14H,3-5H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methoxy-3-methylphenyl)pyrrolidine?
2-(5-bromo-2-methoxy-3-methylphenyl)pyrrolidine has a molecular weight of 270.17 g/mol, XLogP of 3.19, 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-methylphenyl)pyrrolidine is sourced from PubChem (CID 117428409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).