5H-Pyrido(4,3-b)indole, 1,2,3,4-tetrahydro-5-(2-(dimethylamino)ethyl)-1,1,3,3-tetramethyl-8-trifluoromethyl-, dihydrochloride

HCID 218293

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Basic information

CAS: 40431-51-4
Standard SMILES: CN(C)CCn1c2c(c3cc(C(F)(F)F)ccc31)C(C)(C)NC(C)(C)C2.Cl.Cl
InChIKey: XFNFHCKEZLKJMS-UHFFFAOYSA-N
Molecular formula: C20H30Cl2F3N3
Average molar mass: 440.4 g/mol
Monoisotopic mass: 439.1768878

Names & identifiers

Preferred name: 5H-Pyrido(4,3-b)indole, 1,2,3,4-tetrahydro-5-(2-(dimethylamino)ethyl)-1,1,3,3-tetramethyl-8-trifluoromethyl-, dihydrochloride
IUPAC: N,N-dimethyl-2-[1,1,3,3-tetramethyl-8-(trifluoromethyl)-2,4-dihydropyrido[4,3-b]indol-5-yl]ethanamine;dihydrochloride

Names & synonyms

5H-Pyrido(4,3-b)indole, 1,2,3,4-tetrahydro-5-(2-(dimethylamino)ethyl)-1,1,3,3-tetramethyl-8-trifluoromethyl-, dihydrochloride40431-51-4DTXSID30193454RefChem:305760DTXCID40115945N,N-Dimethyl-2-[1,1,3,3-tetramethyl-8-(trifluoromethyl)-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-5-yl]ethan-1-amine--hydrogen chloride (1/2)

Database identifiers

CAS: 40431-51-4
PubChem CID: 218293
DTXSID: DTXSID30193454

Properties

Computed structural properties

Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 28
Formal charge: 0
Complexity: 515

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