5,6-dichloro-2-(2-phenylpropan-2-yl)-3H-isoindol-1-imine

C17H16Cl2N2 — CID 22616313

IUPAC5,6-dichloro-2-(2-phenylpropan-2-yl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2cc(Cl)c(Cl)cc2CN1C(C)(C)c1ccccc1
InChIInChI=1S/C17H16Cl2N2/c1-17(2,12-6-4-3-5-7-12)21-10-11-8-14(18)15(19)9-13(11)16(21)20/h3-9,20H,10H2,1-2H3/b20-16+
InChIKeyKTVZZKFNWOQFRP-CAPFRKAQSA-N
MW319.24 g/mol
LogP5.07
Rot. Bonds2

About 5,6-dichloro-2-(2-phenylpropan-2-yl)-3H-isoindol-1-imine

5,6-dichloro-2-(2-phenylpropan-2-yl)-3H-isoindol-1-imine (PubChem CID 22616313) has the molecular formula C17H16Cl2N2 and a molecular weight of 319.24 g/mol. Its IUPAC name is 5,6-dichloro-2-(2-phenylpropan-2-yl)-3H-isoindol-1-imine.

Molecular Properties

Compound Name5,6-dichloro-2-(2-phenylpropan-2-yl)-3H-isoindol-1-imine
PubChem CID22616313
Molecular FormulaC17H16Cl2N2
Molecular Weight319.24 g/mol
Exact Mass318.07
IUPAC Name5,6-dichloro-2-(2-phenylpropan-2-yl)-3H-isoindol-1-imine
SMILES[H]/N=C1\c2cc(Cl)c(Cl)cc2CN1C(C)(C)c1ccccc1
InChIInChI=1S/C17H16Cl2N2/c1-17(2,12-6-4-3-5-7-12)21-10-11-8-14(18)15(19)9-13(11)16(21)20/h3-9,20H,10H2,1-2H3/b20-16+
InChIKeyKTVZZKFNWOQFRP-CAPFRKAQSA-N
XLogP5.07
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.24
LogP ≤ 55.07
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

5,6-dichloro-2-[[2-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-imine;hydrobromide
CID 22616311
2-(2-phenylpropan-2-yl)-3H-isoindol-1-one
CID 11172771
2-(5-bromo-2-chlorophenyl)-3H-isoindol-1-imine
CID 55223990
1-(2-phenylpropan-2-yl)pyrrole
CID 102584524
2-(5-chloro-2-methoxyphenyl)-3H-isoindol-1-imine
CID 2981571
tert-butylbenzene;chloromethane;ethane
CID 91149652
2-(2-bromo-4-chlorophenyl)-3H-isoindol-1-imine
CID 112724162
2-chloro-2-phenylpropan-1-imine
CID 135391246
4-amino-1-(2-phenylpropan-2-yl)pyrrolidin-2-one
CID 168699128
2-(2-hydroxy-1-imino-3,4-dihydroisoquinolin-3-yl)propan-2-ol
CID 135060670
1-(2,5-dichlorophenyl)-1-phenylethanol
CID 62786924
1-[2-(3-chlorophenyl)propan-2-yl]-4-(2-fluorophenyl)-3-methyl-2H-pyrrol-5-one
CID 15754271

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(2-phenylpropan-2-yl)-3H-isoindol-1-imine?
The IUPAC name of 5,6-dichloro-2-(2-phenylpropan-2-yl)-3H-isoindol-1-imine (CID 22616313) is 5,6-dichloro-2-(2-phenylpropan-2-yl)-3H-isoindol-1-imine.
What is the SMILES notation for 5,6-dichloro-2-(2-phenylpropan-2-yl)-3H-isoindol-1-imine?
The canonical SMILES for 5,6-dichloro-2-(2-phenylpropan-2-yl)-3H-isoindol-1-imine is [H]/N=C1\c2cc(Cl)c(Cl)cc2CN1C(C)(C)c1ccccc1.
What is the InChIKey of 5,6-dichloro-2-(2-phenylpropan-2-yl)-3H-isoindol-1-imine?
The InChIKey is KTVZZKFNWOQFRP-CAPFRKAQSA-N. The full InChI is InChI=1S/C17H16Cl2N2/c1-17(2,12-6-4-3-5-7-12)21-10-11-8-14(18)15(19)9-13(11)16(21)20/h3-9,20H,10H2,1-2H3/b20-16+.
What are the key properties of 5,6-dichloro-2-(2-phenylpropan-2-yl)-3H-isoindol-1-imine?
5,6-dichloro-2-(2-phenylpropan-2-yl)-3H-isoindol-1-imine has a molecular weight of 319.24 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(2-phenylpropan-2-yl)-3H-isoindol-1-imine is sourced from PubChem (CID 22616313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).