3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine

C12H16BrNO — CID 84808890

IUPAC3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine
SMILESCOc1c(Br)cccc1CC1CCNC1
InChIInChI=1S/C12H16BrNO/c1-15-12-10(3-2-4-11(12)13)7-9-5-6-14-8-9/h2-4,9,14H,5-8H2,1H3
InChIKeyDUPRXGRGKYKUPB-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.61
Rot. Bonds3

About 3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine

3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine (PubChem CID 84808890) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine
PubChem CID84808890
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine
SMILESCOc1c(Br)cccc1CC1CCNC1
InChIInChI=1S/C12H16BrNO/c1-15-12-10(3-2-4-11(12)13)7-9-5-6-14-8-9/h2-4,9,14H,5-8H2,1H3
InChIKeyDUPRXGRGKYKUPB-UHFFFAOYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-bromo-2-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 84812895
3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine
CID 19096229
1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine
CID 117411138
3-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84812866
3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine
CID 84810047
3-[(3-bromo-2-methoxy-5,6-dimethylphenyl)methyl]pyrrolidine
CID 84815949
3-[(2-bromo-6-methoxyphenyl)methyl]piperidine
CID 84812911
3-[(2-bromo-4-methylphenyl)methyl]pyrrolidine
CID 84804659
3-[(2-chloro-3-methoxy-4-methylphenyl)methyl]pyrrolidine
CID 84800053
2-(pyrrolidin-3-ylmethyl)phenol
CID 82599560
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
3-[(2-bromo-6-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine
CID 84815947

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine?
The IUPAC name of 3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine (CID 84808890) is 3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine is COc1c(Br)cccc1CC1CCNC1.
What is the InChIKey of 3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine?
The InChIKey is DUPRXGRGKYKUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-15-12-10(3-2-4-11(12)13)7-9-5-6-14-8-9/h2-4,9,14H,5-8H2,1H3.
What are the key properties of 3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine?
3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine has a molecular weight of 270.17 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-2-methoxyphenyl)methyl]pyrrolidine is sourced from PubChem (CID 84808890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).