2-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine

C13H18BrNO — CID 84812952

IUPAC2-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine
SMILESCOc1ccc(CC2CCCN2)c(C)c1Br
InChIInChI=1S/C13H18BrNO/c1-9-10(8-11-4-3-7-15-11)5-6-12(16-2)13(9)14/h5-6,11,15H,3-4,7-8H2,1-2H3
InChIKeyFDKWVPNKKKFXKQ-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.06
Rot. Bonds3

About 2-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine

2-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine (PubChem CID 84812952) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine
PubChem CID84812952
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine
SMILESCOc1ccc(CC2CCCN2)c(C)c1Br
InChIInChI=1S/C13H18BrNO/c1-9-10(8-11-4-3-7-15-11)5-6-12(16-2)13(9)14/h5-6,11,15H,3-4,7-8H2,1-2H3
InChIKeyFDKWVPNKKKFXKQ-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-2-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316525
3-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84812866
2-chloro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 84801195
2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]pyrrolidine
CID 117422294
4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117343303
2-[(5-bromo-2,3-dimethoxy-4-methylphenyl)methyl]pyrrolidine
CID 117499665
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117460798
2-[(6-bromo-2-fluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 117465016
2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
CID 117417665
2-[(2,6-dimethoxy-3-methylphenyl)methyl]piperidine
CID 117377139
2-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316526

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine (CID 84812952) is 2-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine is COc1ccc(CC2CCCN2)c(C)c1Br.
What is the InChIKey of 2-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine?
The InChIKey is FDKWVPNKKKFXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9-10(8-11-4-3-7-15-11)5-6-12(16-2)13(9)14/h5-6,11,15H,3-4,7-8H2,1-2H3.
What are the key properties of 2-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine?
2-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine has a molecular weight of 284.20 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 84812952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).