1-(3,4-Dimethylanilino)-3-[4-[3-(3,4-dimethylanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol

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Basic information

CAS: 5734-10-1
Standard SMILES: Cc1ccc(NCC(O)COc2ccc(OCC(O)CNc3ccc(C)c(C)c3)cc2)cc1C
InChIKey: YBIDMRBLEMROFS-UHFFFAOYSA-N
Molecular formula: C28H36N2O4
Average molar mass: 464.6 g/mol
Monoisotopic mass: 464.26750763

Names & identifiers

Preferred name: 1-(3,4-Dimethylanilino)-3-[4-[3-(3,4-dimethylanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
IUPAC: 1-(3,4-dimethylanilino)-3-[4-[3-(3,4-dimethylanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol

Names & synonyms

CBMicro_0297345734-10-11-(3,4-dimethylanilino)-3-[4-[3-(3,4-dimethylanilino)-2-hydroxypropoxy]phenoxy]propan-2-olOprea1_558786DTXSID80386556STL337681AKOS022131662BIM-0029556.P0011,1'-[1,4-Phenylenebis(oxy)]bis[3-(3,4-dimethylanilino)propan-2-ol]3,3'-(1,4-phenylenebis(oxy))bis(1-((3,4-dimethylphenyl)amino)propan-2-ol)3,3'-[1,4-phenylenebis(oxy)]bis{1-[(3,4-dimethylphenyl)amino]-2-propanol}3,3'-[benzene-1,4-diylbis(oxy)]bis{1-[(3,4-dimethylphenyl)amino]propan-2-ol}

Database identifiers

CAS: 5734-10-1
PubChem CID: 2865565
DTXSID: DTXSID80386556

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 83 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 6
Rotatable bonds: 12
Heavy atoms: 34
Formal charge: 0
Complexity: 509

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Compound notes

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