3-(2-(Dimethylamino)ethyl)-1-((o-methoxybenzyl)methylamino)-3-phenyl-2-indolinone

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Basic information

CAS: 33391-26-3
Standard SMILES: COc1ccccc1CN(C)N1C(=O)C(CCN(C)C)(c2ccccc2)c2ccccc21
InChIKey: GHKCJLKXPGTUDB-UHFFFAOYSA-N
Molecular formula: C27H31N3O2
Average molar mass: 429.6 g/mol
Monoisotopic mass: 429.24162724

Names & identifiers

Preferred name: 3-(2-(Dimethylamino)ethyl)-1-((o-methoxybenzyl)methylamino)-3-phenyl-2-indolinone
IUPAC: 3-[2-(dimethylamino)ethyl]-1-[(2-methoxyphenyl)methyl-methylamino]-3-phenylindol-2-one

Names & synonyms

3-(2-(Dimethylamino)ethyl)-1-((o-methoxybenzyl)methylamino)-3-phenyl-2-indolinone33391-26-3BRN 05029392-Indolinone, 3-(2-(dimethylamino)ethyl)-1-((o-methoxybenzyl)methylamino)-3-phenyl-DTXSID309550143-[2-(Dimethylamino)ethyl]-1-{[(2-methoxyphenyl)methyl](methyl)amino}-3-phenyl-1,3-dihydro-2H-indol-2-one

Database identifiers

CAS: 33391-26-3
PubChem CID: 36444
DTXSID: DTXSID30955014

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 36 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 32
Formal charge: 0
Complexity: 620

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Compound notes

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