3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine

C13H18BrNO — CID 117457157

IUPAC3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine
SMILESCOc1c(C2CCNC2)cc(C)c(Br)c1C
InChIInChI=1S/C13H18BrNO/c1-8-6-11(10-4-5-15-7-10)13(16-3)9(2)12(8)14/h6,10,15H,4-5,7H2,1-3H3
InChIKeyGIPUAMXMMLMWQO-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.15
Rot. Bonds2

About 3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine

3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine (PubChem CID 117457157) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine
PubChem CID117457157
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine
SMILESCOc1c(C2CCNC2)cc(C)c(Br)c1C
InChIInChI=1S/C13H18BrNO/c1-8-6-11(10-4-5-15-7-10)13(16-3)9(2)12(8)14/h6,10,15H,4-5,7H2,1-3H3
InChIKeyGIPUAMXMMLMWQO-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine
CID 117480620
3-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)pyrrolidine
CID 117465146
3-(3-methoxy-2,4-dimethylphenyl)pyrrolidine
CID 117293921
4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine
CID 117499537
3-(4-bromo-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine
CID 117495082
3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 84686824
3-(5-bromo-3-chloro-2-methoxyphenyl)pyrrolidine
CID 117469664
4-(2,3-dimethoxy-4,5-dimethylphenyl)piperidine
CID 117377304
3-(4-bromo-3-methoxy-5-methylphenyl)pyrrolidine
CID 84808965
3-(3-bromo-2-methoxy-5-propan-2-ylphenyl)pyrrolidine
CID 117480582
3-(4-methoxy-3,5-dimethylphenyl)pyrrolidine;hydrochloride
CID 169498562
4-bromo-3,5-dimethyl-2-pyrrolidin-3-ylphenol
CID 84808971

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine?
The IUPAC name of 3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine (CID 117457157) is 3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine.
What is the SMILES notation for 3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine?
The canonical SMILES for 3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine is COc1c(C2CCNC2)cc(C)c(Br)c1C.
What is the InChIKey of 3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine?
The InChIKey is GIPUAMXMMLMWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-8-6-11(10-4-5-15-7-10)13(16-3)9(2)12(8)14/h6,10,15H,4-5,7H2,1-3H3.
What are the key properties of 3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine?
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine has a molecular weight of 284.20 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-methoxy-3,5-dimethylphenyl)pyrrolidine is sourced from PubChem (CID 117457157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).