2-(2,5-dimethoxyphenyl)-3H-isoindol-1-imine;hydrobromide

C16H17BrN2O2 — CID 2981480

IUPAC2-(2,5-dimethoxyphenyl)-3H-isoindol-1-imine;hydrobromide
SMILESBr.[H]/N=C1\c2ccccc2CN1c1cc(OC)ccc1OC
InChIInChI=1S/C16H16N2O2.BrH/c1-19-12-7-8-15(20-2)14(9-12)18-10-11-5-3-4-6-13(11)16(18)17;/h3-9,17H,10H2,1-2H3;1H/b17-16+;
InChIKeyPZWQSXUITXIEAU-CMBBICFISA-N
MW349.23 g/mol
LogP3.63
Rot. Bonds3

About 2-(2,5-dimethoxyphenyl)-3H-isoindol-1-imine;hydrobromide

2-(2,5-dimethoxyphenyl)-3H-isoindol-1-imine;hydrobromide (PubChem CID 2981480) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-3H-isoindol-1-imine;hydrobromide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-3H-isoindol-1-imine;hydrobromide
PubChem CID2981480
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-(2,5-dimethoxyphenyl)-3H-isoindol-1-imine;hydrobromide
SMILESBr.[H]/N=C1\c2ccccc2CN1c1cc(OC)ccc1OC
InChIInChI=1S/C16H16N2O2.BrH/c1-19-12-7-8-15(20-2)14(9-12)18-10-11-5-3-4-6-13(11)16(18)17;/h3-9,17H,10H2,1-2H3;1H/b17-16+;
InChIKeyPZWQSXUITXIEAU-CMBBICFISA-N
XLogP3.63
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(2,5-dimethoxyphenyl)-3H-isoindol-1-imine;hydrobromide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-3H-isoindol-1-imine;hydrobromide (CID 2981480) is 2-(2,5-dimethoxyphenyl)-3H-isoindol-1-imine;hydrobromide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-3H-isoindol-1-imine;hydrobromide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-3H-isoindol-1-imine;hydrobromide is Br.[H]/N=C1\c2ccccc2CN1c1cc(OC)ccc1OC.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-3H-isoindol-1-imine;hydrobromide?
The InChIKey is PZWQSXUITXIEAU-CMBBICFISA-N. The full InChI is InChI=1S/C16H16N2O2.BrH/c1-19-12-7-8-15(20-2)14(9-12)18-10-11-5-3-4-6-13(11)16(18)17;/h3-9,17H,10H2,1-2H3;1H/b17-16+;.
What are the key properties of 2-(2,5-dimethoxyphenyl)-3H-isoindol-1-imine;hydrobromide?
2-(2,5-dimethoxyphenyl)-3H-isoindol-1-imine;hydrobromide has a molecular weight of 349.23 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-3H-isoindol-1-imine;hydrobromide is sourced from PubChem (CID 2981480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).