Formula | C19H23NO |
MW | 281.4 |
InChIKey | LSIPGCUGAIVNCP-UHFFFAOYSA-N |
pubchem_compound_cid | 24997 |
pubchem_compound_canonicalized | 1 |
pubchem_cactvs_complexity | 293 |
pubchem_cactvs_hbond_acceptor | 2 |
pubchem_cactvs_hbond_donor | 0 |
pubchem_cactvs_rotatable_bond | 4 |
pubchem_cactvs_subskeys | AAADceB6IAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAABgAAAAABQAAAHgAAAAAADBThmAYyAIMABACAAiBCAAACAAAgAAAIiAAICIgKJiKAMRiDMAAkwAEYqAeAwOAOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA== |
pubchem_iupac_openeye_name | 2-(6,11-dihydro-5H-dibenzo[1,2-a:1',2'-e][7]annulen-11-yloxy)-N,N-dimethyl-ethanamine |
pubchem_iupac_cas_name | 2-(6,11-dihydro-5H-dibenzo[1,2-a:1',2'-e][7]annulen-11-yloxy)-N,N-dimethylethanamine |
pubchem_iupac_systematic_name | 2-(6,11-dihydro-5H-dibenzo[1,2-a:1',2'-e][7]annulen-11-yloxy)-N,N-dimethyl-ethanamine |
pubchem_iupac_traditional_name | 2-(6,11-dihydro-5H-dibenzo[1,2-a:1',2'-e]cyclohepten-11-yloxy)ethyl-dimethyl-amine |
pubchem_iupac_inchi | InChI=1S/C19H23NO/c1-20(2)13-14-21-19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-10,19H,11-14H2,1-2H3 |
pubchem_iupac_inchikey | LSIPGCUGAIVNCP-UHFFFAOYSA-N |
pubchem_xlogp3_aa | 3.6 |
pubchem_exact_mass | 281.177964 |
pubchem_molecular_formula | C19H23NO |
pubchem_molecular_weight | 281.39202 |
pubchem_openeye_can_smiles | CN(C)CCOC1C2=CC=CC=C2CCC3=CC=CC=C13 |
pubchem_openeye_iso_smiles | CN(C)CCOC1C2=CC=CC=C2CCC3=CC=CC=C13 |
pubchem_cactvs_tpsa | 12.5 |
pubchem_monoisotopic_weight | 281.177964 |
pubchem_total_charge | 0 |
pubchem_heavy_atom_count | 21 |
pubchem_atom_def_stereo_count | 0 |
pubchem_atom_udef_stereo_count | 0 |
pubchem_bond_def_stereo_count | 0 |
pubchem_bond_udef_stereo_count | 0 |
pubchem_isotopic_atom_count | 0 |
pubchem_component_count | 1 |
pubchem_cactvs_tauto_count | 1 |
pubchem_coordinate_type | 1 |
pubchem_bondannotations | 10 17 8
11 16 8
12 18 8
13 19 8
16 19 8
17 18 8
4 11 8
4 9 8
5 10 8
5 8 8
8 12 8
9 13 8 |
pubchem_xlogp3 | 0 |