Formula | C10H15N |
MW | 149.24 |
InChIKey | GJKPTDGTWOVONJ-UHFFFAOYSA-N |
pubchem_compound_cid | 24979 |
pubchem_compound_canonicalized | 1 |
pubchem_cactvs_complexity | 95 |
pubchem_cactvs_hbond_acceptor | 1 |
pubchem_cactvs_hbond_donor | 1 |
pubchem_cactvs_rotatable_bond | 3 |
pubchem_cactvs_subskeys | AAADccByAAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAAQAAAADCjBGAQyAILAAACAAiBCAACCAAAgAAAIiIAIBIgIICKAkRGEIAhgkACIiAcQgIAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== |
pubchem_iupac_openeye_name | N-ethyl-1-phenyl-ethanamine |
pubchem_iupac_cas_name | N-ethyl-1-phenylethanamine |
pubchem_iupac_systematic_name | N-ethyl-1-phenyl-ethanamine |
pubchem_iupac_traditional_name | ethyl(1-phenylethyl)amine |
pubchem_iupac_inchi | InChI=1S/C10H15N/c1-3-11-9(2)10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3 |
pubchem_iupac_inchikey | GJKPTDGTWOVONJ-UHFFFAOYSA-N |
pubchem_xlogp3_aa | 2.1 |
pubchem_exact_mass | 149.120449 |
pubchem_molecular_formula | C10H15N |
pubchem_molecular_weight | 149.2328 |
pubchem_openeye_can_smiles | CCNC(C)C1=CC=CC=C1 |
pubchem_openeye_iso_smiles | CCNC(C)C1=CC=CC=C1 |
pubchem_cactvs_tpsa | 12 |
pubchem_monoisotopic_weight | 149.120449 |
pubchem_total_charge | 0 |
pubchem_heavy_atom_count | 11 |
pubchem_atom_def_stereo_count | 0 |
pubchem_atom_udef_stereo_count | 1 |
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 11 8
2 12 3
3 6 8
3 7 8
6 9 8
7 10 8
9 11 8 |
pubchem_xlogp3 | 0 |