6-fluoro-2-[(4-propan-2-ylphenyl)methyl]-3H-isoindol-1-imine

C18H19FN2 — CID 63536482

IUPAC6-fluoro-2-[(4-propan-2-ylphenyl)methyl]-3H-isoindol-1-imine
SMILES[H]/N=C1/c2cc(F)ccc2CN1Cc1ccc(C(C)C)cc1
InChIInChI=1S/C18H19FN2/c1-12(2)14-5-3-13(4-6-14)10-21-11-15-7-8-16(19)9-17(15)18(21)20/h3-9,12,20H,10-11H2,1-2H3/b20-18-
InChIKeyTWLBAJXABNWHLD-ZZEZOPTASA-N
MW282.36 g/mol
LogP4.29
Rot. Bonds3

About 6-fluoro-2-[(4-propan-2-ylphenyl)methyl]-3H-isoindol-1-imine

6-fluoro-2-[(4-propan-2-ylphenyl)methyl]-3H-isoindol-1-imine (PubChem CID 63536482) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 6-fluoro-2-[(4-propan-2-ylphenyl)methyl]-3H-isoindol-1-imine.

Molecular Properties

Compound Name6-fluoro-2-[(4-propan-2-ylphenyl)methyl]-3H-isoindol-1-imine
PubChem CID63536482
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name6-fluoro-2-[(4-propan-2-ylphenyl)methyl]-3H-isoindol-1-imine
SMILES[H]/N=C1/c2cc(F)ccc2CN1Cc1ccc(C(C)C)cc1
InChIInChI=1S/C18H19FN2/c1-12(2)14-5-3-13(4-6-14)10-21-11-15-7-8-16(19)9-17(15)18(21)20/h3-9,12,20H,10-11H2,1-2H3/b20-18-
InChIKeyTWLBAJXABNWHLD-ZZEZOPTASA-N
XLogP4.29
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.29
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 6-fluoro-2-[(4-propan-2-ylphenyl)methyl]-3H-isoindol-1-imine?
The IUPAC name of 6-fluoro-2-[(4-propan-2-ylphenyl)methyl]-3H-isoindol-1-imine (CID 63536482) is 6-fluoro-2-[(4-propan-2-ylphenyl)methyl]-3H-isoindol-1-imine.
What is the SMILES notation for 6-fluoro-2-[(4-propan-2-ylphenyl)methyl]-3H-isoindol-1-imine?
The canonical SMILES for 6-fluoro-2-[(4-propan-2-ylphenyl)methyl]-3H-isoindol-1-imine is [H]/N=C1/c2cc(F)ccc2CN1Cc1ccc(C(C)C)cc1.
What is the InChIKey of 6-fluoro-2-[(4-propan-2-ylphenyl)methyl]-3H-isoindol-1-imine?
The InChIKey is TWLBAJXABNWHLD-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H19FN2/c1-12(2)14-5-3-13(4-6-14)10-21-11-15-7-8-16(19)9-17(15)18(21)20/h3-9,12,20H,10-11H2,1-2H3/b20-18-.
What are the key properties of 6-fluoro-2-[(4-propan-2-ylphenyl)methyl]-3H-isoindol-1-imine?
6-fluoro-2-[(4-propan-2-ylphenyl)methyl]-3H-isoindol-1-imine has a molecular weight of 282.36 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(4-propan-2-ylphenyl)methyl]-3H-isoindol-1-imine is sourced from PubChem (CID 63536482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).