2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(4-(2-(1H-indol-4-yl)ethenyl)phenoxy)-, monohydrochloride, (E)-

HCID 6447713

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Basic information

CAS: 98834-23-2
Standard SMILES: CC(C)(C)NCC(O)COc1ccc(/C=C/c2cccc3[nH]ccc23)cc1.Cl
InChIKey: HYOCVXZTSXMCAW-HCUGZAAXSA-N
Molecular formula: C23H29ClN2O2
Average molar mass: 400.9 g/mol
Monoisotopic mass: 400.1917559

Names & identifiers

Preferred name: 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(4-(2-(1H-indol-4-yl)ethenyl)phenoxy)-, monohydrochloride, (E)-
IUPAC: 1-(tert-butylamino)-3-[4-[(E)-2-(1H-indol-4-yl)ethenyl]phenoxy]propan-2-ol;hydrochloride

Names & synonyms

2-Propanol, 1-((1,1-dimethylethyl)amino)-3-(4-(2-(1H-indol-4-yl)ethenyl)phenoxy)-, monohydrochloride, (E)-98834-23-2RefChem:1064236(E)-1-((1,1-Dimethylethyl)amino)-3-(4-(2-(1H-indol-4-yl)ethenyl)phenoxy)-2-propanol HCl

Database identifiers

CAS: 98834-23-2
PubChem CID: 6447713

Properties

Computed structural properties

Topological polar surface area: 57.3 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 28
Formal charge: 0
Complexity: 465

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