2-(3-fluoro-5-methylphenyl)-3H-isoindol-1-imine

C15H13FN2 — CID 79049664

IUPAC2-(3-fluoro-5-methylphenyl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2CN1c1cc(C)cc(F)c1
InChIInChI=1S/C15H13FN2/c1-10-6-12(16)8-13(7-10)18-9-11-4-2-3-5-14(11)15(18)17/h2-8,17H,9H2,1H3/b17-15+
InChIKeyJSIVDXKPFZSBBL-BMRADRMJSA-N
MW240.28 g/mol
LogP3.48
Rot. Bonds1

About 2-(3-fluoro-5-methylphenyl)-3H-isoindol-1-imine

2-(3-fluoro-5-methylphenyl)-3H-isoindol-1-imine (PubChem CID 79049664) has the molecular formula C15H13FN2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-(3-fluoro-5-methylphenyl)-3H-isoindol-1-imine.

Molecular Properties

Compound Name2-(3-fluoro-5-methylphenyl)-3H-isoindol-1-imine
PubChem CID79049664
Molecular FormulaC15H13FN2
Molecular Weight240.28 g/mol
Exact Mass240.11
IUPAC Name2-(3-fluoro-5-methylphenyl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2ccccc2CN1c1cc(C)cc(F)c1
InChIInChI=1S/C15H13FN2/c1-10-6-12(16)8-13(7-10)18-9-11-4-2-3-5-14(11)15(18)17/h2-8,17H,9H2,1H3/b17-15+
InChIKeyJSIVDXKPFZSBBL-BMRADRMJSA-N
XLogP3.48
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(3-fluoro-5-methylphenyl)-3H-isoindol-1-imine?
The IUPAC name of 2-(3-fluoro-5-methylphenyl)-3H-isoindol-1-imine (CID 79049664) is 2-(3-fluoro-5-methylphenyl)-3H-isoindol-1-imine.
What is the SMILES notation for 2-(3-fluoro-5-methylphenyl)-3H-isoindol-1-imine?
The canonical SMILES for 2-(3-fluoro-5-methylphenyl)-3H-isoindol-1-imine is [H]/N=C1\c2ccccc2CN1c1cc(C)cc(F)c1.
What is the InChIKey of 2-(3-fluoro-5-methylphenyl)-3H-isoindol-1-imine?
The InChIKey is JSIVDXKPFZSBBL-BMRADRMJSA-N. The full InChI is InChI=1S/C15H13FN2/c1-10-6-12(16)8-13(7-10)18-9-11-4-2-3-5-14(11)15(18)17/h2-8,17H,9H2,1H3/b17-15+.
What are the key properties of 2-(3-fluoro-5-methylphenyl)-3H-isoindol-1-imine?
2-(3-fluoro-5-methylphenyl)-3H-isoindol-1-imine has a molecular weight of 240.28 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methylphenyl)-3H-isoindol-1-imine is sourced from PubChem (CID 79049664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).