335788 <common-name>2-[[4-[butyl(2-phenylethyl)amino]-2-methylphenyl]methylidene]propanedinitrile</common-name> <description>2-[[4-[butyl(2-phenylethyl)amino]-2-methylphenyl]methylidene]propanedinitrile is a compound with the formula C23H25N3. It has an average molecular weight of 343.50 g/mol.</description> <cas>106794-63-2</cas> <pubchem-id>44148995</pubchem-id> <chemical-formula>C23H25N3</chemical-formula> <weight>343.5</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-30T18:01:55Z</created-at> <updated-at type="dateTime">2026-08-30T18:01:55Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CCCCN(CCC1=CC=CC=C1)C2=CC(=C(C=C2)C=C(C#N)C#N)C</moldb-smiles> <moldb-formula>C23H25N3</moldb-formula> <moldb-inchi>InChI=1S/C23H25N3/c1-3-4-13-26(14-12-20-8-6-5-7-9-20)23-11-10-22(19(2)15-23)16-21(17-24)18-25/h5-11,15-16H,3-4,12-14H2,1-2H3</moldb-inchi> <moldb-inchikey>MRABUNQYANKRGL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">343.2048478</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM331681</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>2-[[4-[butyl(2-phenylethyl)amino]-2-methylphenyl]methylidene]propanedinitrile</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Phenethylamines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0286254</sync-id> <structure-inchikey>MRABUNQYANKRGL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000000000000000000000000000000000000000000000000020000000000000800000000040000000001000000000800000000000000000000000000000100200000000000020000201002000000000000000000000002201100000000000000001040000000000000000000c000002000000000000004004020040080c000000000000000000000000100000000801000000000000000000000000000000000088900000000000000000000000000000000000000000000000000000000000000000000000001000000002000002220000000000000000000080000000040000000010000800001000000400000000000000000</structure-fingerprint> <structure-pattern-fingerprint>501002000912024081000940012820000000040001052000003520400200080c40020050008000000000410a088000000460002d408c30010020e43000a04000c6110c00028004000092100000721200000405805101113240000422000240000c300526004002000000040055140000200080500501c004511c000002710002104000080ef0820808020240082c0008111c0812440014820000080000400080000310000010c00000000840017c25100ac00000894308401000020008c00210001000c404400032018000000401028000000000020050000d0000000800830010004c10008100000000040040122008001000308042000e0008000052000402</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAaAAAAGwAAAIABBgBgAAAAAQMGAGAAAAAC AgYAYAAAAAICBgBgAAAAAgIHACgAAAADAwYAYAAAAAICBgBgAAAAAgIGQCgA AAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMDAQZAaAAA AAMDAQZAKAAAAAMEBkBoAAAAAwMBBkAoAAAAAwQGQCgAAAADBAZAaAAAAAMD AQZAaAAAAAMDAQYAaAAAAAMDAQYAKAAAAAMEBgAoAAAAAgQHACgAAAACAwYA KAAAAAIEBwAoAAAAAgMGAGAAAAABAwsAAQABAgACAwADBAAEBQAFBgAGBwAH CGgMCAloDAkKaAwKC2gMCwxoDAQNIA0OaAwOD2gMDxBoDBARaAwREmgMEBMg ExQoAhQVIBUWKAMUFyAXGCgDDxkADAdoDBINaAxCAgAAAAYICQoLDAcGDg8Q ERINFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:37:25Z</structure-indexed-at> </compound>