1-(2,3-dimethyl-1H-indol-1-yl)-3-[(4-iodophenyl)amino]propan-2-ol
Basic information
- CAS
315248-20-5- Standard SMILES
Cc1c(C)n(CC(O)CNc2ccc(I)cc2)c2ccccc12- InChIKey
PAEAIIHDHPUTGL-UHFFFAOYSA-N- Molecular formula
- C19H21IN2O
- Average molar mass
- 420.3 g/mol
- Monoisotopic mass
- 420.06986
Names & identifiers
- Preferred name
- 1-(2,3-dimethyl-1H-indol-1-yl)-3-[(4-iodophenyl)amino]propan-2-ol
- IUPAC
- 1-(2,3-dimethylindol-1-yl)-3-(4-iodoanilino)propan-2-ol
- English name
- CHEMBRDG-BB 6415452
- Molecular formula
- C19H21IN2O
- Molecular weight
- 420.29
Names & synonyms
315248-20-51-(2,3-dimethyl-1H-indol-1-yl)-3-[(4-iodophenyl)amino]propan-2-ol1-(2,3-Dimethyl-1H-indol-1-yl)-3-((4-iodophenyl)amino)propan-2-olMFCD023288401-(2,3-dimethylindol-1-yl)-3-(4-iodoanilino)propan-2-olOprea1_0306561-(2,3-Dimethyl-1H-indol-1-yl)-3-(4-iodoanilino)propan-2-olDTXSID303876191-(2,3-dimethyl-1H-indol-1-yl)-3-(4-iodoanilino)-2-propanolSTK927095AKOS001656554AKOS016325514
Show more names
CHEMBRDG-BB 64154521H-Indole-1-ethanol, α-[[(4-iodophenyl)amino]methyl]-2,3-dimethyl-1-(2,3-dimethyl-1H-indol-1-yl)-3-[(4-iodophenyl)amino]propan-2-ol(SALTDATA: FREE)
BS-37660DB-190208CS-0327896EU-0008086ST50505912AF-399/15128182F361458SR-01000462154
Database identifiers
- CAS
315248-20-5- PubChem CID
- 2897474
- DTXSID
DTXSID30387619
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 37.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- Boiling point
- 586.5 · 586.5±50.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- pka
- 14.37 · 14.37±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Compound notes
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