1,3-Propanediamine, N,2-dimethyl-N'-4-pyridinyl-N-((tetrahydro-2-furanyl)methyl)-N'-(3-(trifluomethyl)phenyl)-, dihydrochloride
Basic information
- CAS
21937-04-2- Standard SMILES
CC(CN(C)CC1CCCO1)CN(c1ccncc1)c1cccc(C(F)(F)F)c1.Cl.Cl- InChIKey
QZPHXVVTGWVXRQ-UHFFFAOYSA-N- Molecular formula
- C22H30Cl2F3N3O
- Average molar mass
- 480.4 g/mol
- Monoisotopic mass
- 479.1718025
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N,2-dimethyl-N'-4-pyridinyl-N-((tetrahydro-2-furanyl)methyl)-N'-(3-(trifluomethyl)phenyl)-, dihydrochloride
- IUPAC
- N,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-pyridin-4-yl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine;dihydrochloride
Names & synonyms
21937-04-21,3-Propanediamine, N,2-dimethyl-N'-4-pyridinyl-N-((tetrahydro-2-furanyl)methyl)-N'-(3-(trifluomethyl)phenyl)-, dihydrochlorideRefChem:219449DTXSID60944532N~1~,2-Dimethyl-N~1~-[(oxolan-2-yl)methyl]-N~3~-(pyridin-4-yl)-N~3~-[3-(trifluoromethyl)phenyl]propane-1,3-diamine--hydrogen chloride (1/2)
Database identifiers
- CAS
21937-04-2- PubChem CID
- 210935
- DTXSID
DTXSID60944532
Properties
Computed structural properties
- Topological polar surface area
- 28.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 484
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Compound notes
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