1-(3-bromo-2,6-dimethoxyphenyl)-N-(1-methylpyrrolidin-2-yl)ethanimine

C15H21BrN2O2 — CID 173481755

IUPAC1-(3-bromo-2,6-dimethoxyphenyl)-N-(1-methylpyrrolidin-2-yl)ethanimine
SMILESCOc1ccc(Br)c(OC)c1C(C)=NC1CCCN1C
InChIInChI=1S/C15H21BrN2O2/c1-10(17-13-6-5-9-18(13)2)14-12(19-3)8-7-11(16)15(14)20-4/h7-8,13H,5-6,9H2,1-4H3
InChIKeyAZOUCQCOBNXCJH-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.33
Rot. Bonds4

About 1-(3-bromo-2,6-dimethoxyphenyl)-N-(1-methylpyrrolidin-2-yl)ethanimine

1-(3-bromo-2,6-dimethoxyphenyl)-N-(1-methylpyrrolidin-2-yl)ethanimine (PubChem CID 173481755) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 1-(3-bromo-2,6-dimethoxyphenyl)-N-(1-methylpyrrolidin-2-yl)ethanimine.

Molecular Properties

Compound Name1-(3-bromo-2,6-dimethoxyphenyl)-N-(1-methylpyrrolidin-2-yl)ethanimine
PubChem CID173481755
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name1-(3-bromo-2,6-dimethoxyphenyl)-N-(1-methylpyrrolidin-2-yl)ethanimine
SMILESCOc1ccc(Br)c(OC)c1C(C)=NC1CCCN1C
InChIInChI=1S/C15H21BrN2O2/c1-10(17-13-6-5-9-18(13)2)14-12(19-3)8-7-11(16)15(14)20-4/h7-8,13H,5-6,9H2,1-4H3
InChIKeyAZOUCQCOBNXCJH-UHFFFAOYSA-N
XLogP3.33
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-dimethoxyphenyl)-N-(1-methylpyrrolidin-2-yl)ethanimine?
The IUPAC name of 1-(3-bromo-2,6-dimethoxyphenyl)-N-(1-methylpyrrolidin-2-yl)ethanimine (CID 173481755) is 1-(3-bromo-2,6-dimethoxyphenyl)-N-(1-methylpyrrolidin-2-yl)ethanimine.
What is the SMILES notation for 1-(3-bromo-2,6-dimethoxyphenyl)-N-(1-methylpyrrolidin-2-yl)ethanimine?
The canonical SMILES for 1-(3-bromo-2,6-dimethoxyphenyl)-N-(1-methylpyrrolidin-2-yl)ethanimine is COc1ccc(Br)c(OC)c1C(C)=NC1CCCN1C.
What is the InChIKey of 1-(3-bromo-2,6-dimethoxyphenyl)-N-(1-methylpyrrolidin-2-yl)ethanimine?
The InChIKey is AZOUCQCOBNXCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10(17-13-6-5-9-18(13)2)14-12(19-3)8-7-11(16)15(14)20-4/h7-8,13H,5-6,9H2,1-4H3.
What are the key properties of 1-(3-bromo-2,6-dimethoxyphenyl)-N-(1-methylpyrrolidin-2-yl)ethanimine?
1-(3-bromo-2,6-dimethoxyphenyl)-N-(1-methylpyrrolidin-2-yl)ethanimine has a molecular weight of 341.25 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-dimethoxyphenyl)-N-(1-methylpyrrolidin-2-yl)ethanimine is sourced from PubChem (CID 173481755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).