Basic information
- CAS
20014-10-2- Standard SMILES
CC(C)NCC(O)CNc1ccc(Oc2ccccc2)cc1.Cl.Cl- InChIKey
HLDMGVFPOZDOMU-UHFFFAOYSA-N- Molecular formula
- C18H26Cl2N2O2
- Average molar mass
- 373.3 g/mol
- Monoisotopic mass
- 372.1371335
Names & identifiers
- Preferred name
- 2-Propanol, 1-(isopropylamino)-3-(p-phenoxyanilino)-, dihydrochloride
- IUPAC
- 1-(4-phenoxyanilino)-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
Names & synonyms
20014-10-21-(Isopropylamino)-3-(p-phenoxyanilino)-2-propanol dihydrochloride2-Propanol, 1-(isopropylamino)-3-(p-phenoxyanilino)-, dihydrochlorideRefChem:265858DTXSID409420111-(4-Phenoxyanilino)-3-[(propan-2-yl)amino]propan-2-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
20014-10-2- PubChem CID
- 209593
- DTXSID
DTXSID40942011
Properties
Computed structural properties
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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