| CAS Number | 380563-53-1 |
| Catalog Number | AG01BJCY |
| Chemical Name | 2-[4-(propan-2-yl)phenyl]-2,3-dihydro-1H-isoindol-1-imine |
| IUPAC Name | 2-(4-propan-2-ylphenyl)-3H-isoindol-1-imine |
| InChI | InChI=1S/C17H18N2/c1-12(2)13-7-9-15(10-8-13)19-11-14-5-3-4-6-16(14)17(19)18/h3-10,12,18H,11H2,1-2H3 |
| InChI Key | VQLAVEDFUZANND-UHFFFAOYSA-N |
| MDL Number | MFCD03477569 |
| Molecular Formula | C17H18N2 |
| Molecular Weight | 250.3382 |
| SMILES | CC(C1=CC=C(N2C(=N)C3=C(C=CC=C3)C2)C=C1)C |
| Synonyms | 2-[4-(propan-2-yl)phenyl]-2,3-dihydro-1H-isoindol-1-imine,
380563-53-1,
AC1NB8DG,
2-(4-propan-2-ylphenyl)-3H-isoindol-1-imine,
AKOS005859618,
ZINC100927268,
MCULE-1677211427,
SR-01000033522,
SR-01000033522-1,
Z56103644,
CID4464086,
|
| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.345g/mol |
| Monoisotopic Mass | 250.147g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 27.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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