1-(Tert-butylamino)-3-(2-{[4-(dimethylamino)phenyl]ethynyl}phenoxy)propan-2-ol

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Basic information

CAS: 102770-89-8
Standard SMILES: CN(C)c1ccc(C#Cc2ccccc2OCC(O)CNC(C)(C)C)cc1
InChIKey: MWASBJAIQBHBFC-UHFFFAOYSA-N
Molecular formula: C23H30N2O2
Average molar mass: 366.5 g/mol
Monoisotopic mass: 366.2307282

Names & identifiers

Preferred name: 1-(Tert-butylamino)-3-(2-{[4-(dimethylamino)phenyl]ethynyl}phenoxy)propan-2-ol
IUPAC: 1-(tert-butylamino)-3-[2-[2-[4-(dimethylamino)phenyl]ethynyl]phenoxy]propan-2-ol

Names & synonyms

102770-89-81-(tert-butylamino)-3-(2-{[4-(dimethylamino)phenyl]ethynyl}phenoxy)propan-2-olSCHEMBL10596509DTXSID609080382-Propanol, 1-(2-((4-(dimethylamino)phenyl)ethynyl)phenoxy)-3-((1,1-dimethylethyl)amino)-2-Propanol, 1-[2-[2-[4-(dimethylamino)phenyl]ethynyl]phenoxy]-3-[(1,1-dimethylethyl)amino]-

Database identifiers

CAS: 102770-89-8
PubChem CID: 190441
DTXSID: DTXSID60908038

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 44.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 9
Heavy atoms: 27
Formal charge: 0
Complexity: 491

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Compound notes

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