(4-Bromophenyl)-[4-[4-(dimethylaminomethyl)phenyl]phenyl]methanone

HCID 501397

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Basic information

CAS: 140620-49-1
Standard SMILES: CN(C)Cc1ccc(-c2ccc(C(=O)c3ccc(Br)cc3)cc2)cc1
InChIKey: NPAPCTREASFGKZ-UHFFFAOYSA-N
Molecular formula: C22H20BrNO
Average molar mass: 394.3 g/mol
Monoisotopic mass: 393.07283

Names & identifiers

Preferred name: (4-Bromophenyl)-[4-[4-(dimethylaminomethyl)phenyl]phenyl]methanone
IUPAC: (4-bromophenyl)-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]methanone

Names & synonyms

Ro 44-2103Ro-44-2103140620-49-1Methanone, (4-bromophenyl)(4'-((dimethylamino)methyl)(1,1'-biphenyl)-4-yl)Methanone, (4-bromophenyl)[4'-[(dimethylamino)methyl][1,1'-biphenyl]-4-yl](4-bromophenyl)-[4-[4-(dimethylaminomethyl)phenyl]phenyl]methanoneSCHEMBL9151599DTXSID50930888(4-Bromophenyl){4'-[(dimethylamino)methyl][1,1'-biphenyl]-4-yl}methanone

Database identifiers

CAS: 140620-49-1
PubChem CID: 501397
DTXSID: DTXSID50930888

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 25
Formal charge: 0
Complexity: 414

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