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

C15H13FN2 — CID 63291650

IUPAC6-fluoro-2-(3-methylphenyl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2cc(F)ccc2CN1c1cccc(C)c1
InChIInChI=1S/C15H13FN2/c1-10-3-2-4-13(7-10)18-9-11-5-6-12(16)8-14(11)15(18)17/h2-8,17H,9H2,1H3/b17-15+
InChIKeyRAPCXUFZWPCMEO-BMRADRMJSA-N
MW240.28 g/mol
LogP3.48
Rot. Bonds1

About 6-fluoro-2-(3-methylphenyl)-3H-isoindol-1-imine

6-fluoro-2-(3-methylphenyl)-3H-isoindol-1-imine (PubChem CID 63291650) has the molecular formula C15H13FN2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 6-fluoro-2-(3-methylphenyl)-3H-isoindol-1-imine.

Molecular Properties

Compound Name6-fluoro-2-(3-methylphenyl)-3H-isoindol-1-imine
PubChem CID63291650
Molecular FormulaC15H13FN2
Molecular Weight240.28 g/mol
Exact Mass240.11
IUPAC Name6-fluoro-2-(3-methylphenyl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2cc(F)ccc2CN1c1cccc(C)c1
InChIInChI=1S/C15H13FN2/c1-10-3-2-4-13(7-10)18-9-11-5-6-12(16)8-14(11)15(18)17/h2-8,17H,9H2,1H3/b17-15+
InChIKeyRAPCXUFZWPCMEO-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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Related Compounds

3-(5-fluoro-3-imino-1H-isoindol-2-yl)benzonitrile
CID 55172909
2-(3,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63536476
2-(4-chlorophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63291735
2-(3-fluoro-5-methylphenyl)-3H-isoindol-1-imine
CID 79049664
2-(4-bromo-3-chlorophenyl)-6-fluoro-3H-isoindol-1-imine
CID 107613346
2-(2,5-difluorophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63291429
2-[4-(difluoromethoxy)phenyl]-6-fluoro-3H-isoindol-1-imine
CID 63291212
6-fluoro-2-(6-methoxy-3-pyridinyl)-3H-isoindol-1-imine
CID 63291737
6-fluoro-2-(4-methoxy-2-methylphenyl)-3H-isoindol-1-imine
CID 63291223
6-fluoro-2-quinolin-5-yl-3H-isoindol-1-imine
CID 63291206
2-(2,4-dichlorophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63536797
2-(2,4-dibromophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63534945

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(3-methylphenyl)-3H-isoindol-1-imine?
The IUPAC name of 6-fluoro-2-(3-methylphenyl)-3H-isoindol-1-imine (CID 63291650) is 6-fluoro-2-(3-methylphenyl)-3H-isoindol-1-imine.
What is the SMILES notation for 6-fluoro-2-(3-methylphenyl)-3H-isoindol-1-imine?
The canonical SMILES for 6-fluoro-2-(3-methylphenyl)-3H-isoindol-1-imine is [H]/N=C1\c2cc(F)ccc2CN1c1cccc(C)c1.
What is the InChIKey of 6-fluoro-2-(3-methylphenyl)-3H-isoindol-1-imine?
The InChIKey is RAPCXUFZWPCMEO-BMRADRMJSA-N. The full InChI is InChI=1S/C15H13FN2/c1-10-3-2-4-13(7-10)18-9-11-5-6-12(16)8-14(11)15(18)17/h2-8,17H,9H2,1H3/b17-15+.
What are the key properties of 6-fluoro-2-(3-methylphenyl)-3H-isoindol-1-imine?
6-fluoro-2-(3-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 6-fluoro-2-(3-methylphenyl)-3H-isoindol-1-imine is sourced from PubChem (CID 63291650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).