C214H345F4N21O13 — CID 162079770
anisole;N,N-dimethylaniline;N,N-dimethyl-1-phenylmethanamine;ethoxybenzene;ethoxycyclohexane;3-ethoxy-1-fluoro-1-methylcyclobutane;3-ethoxyoxane;2-ethoxy-1,1,1-trifluoroethane;ethylbenzene;ethylcyclohexane;2-ethyloxane;3-ethyloxane;1-ethylpiperidine;2-ethylpyridine;3-ethylpyridine;methoxycyclohexane;methoxymethylbenzene;bis(N-methylaniline);bis(N-methylcyclohexanamine);N-methyloxan-2-amine;N-methyloxan-3-amine;bis(N-methyl-1-phenylmethanamine);N-methylpyridin-2-amine;N-methylpyridin-3-amine;N-methyl-1-pyridin-2-ylmethanamine;N-methyl-1-pyridin-3-ylmethanamine (PubChem CID 162079770) has the molecular formula C214H345F4N21O13 and a molecular weight of 3496.24 g/mol. Its IUPAC name is anisole;N,N-dimethylaniline;N,N-dimethyl-1-phenylmethanamine;ethoxybenzene;ethoxycyclohexane;3-ethoxy-1-fluoro-1-methylcyclobutane;3-ethoxyoxane;2-ethoxy-1,1,1-trifluoroethane;ethylbenzene;ethylcyclohexane;2-ethyloxane;3-ethyloxane;1-ethylpiperidine;2-ethylpyridine;3-ethylpyridine;methoxycyclohexane;methoxymethylbenzene;bis(N-methylaniline);bis(N-methylcyclohexanamine);N-methyloxan-2-amine;N-methyloxan-3-amine;bis(N-methyl-1-phenylmethanamine);N-methylpyridin-2-amine;N-methylpyridin-3-amine;N-methyl-1-pyridin-2-ylmethanamine;N-methyl-1-pyridin-3-ylmethanamine.
| Compound Name | anisole;N,N-dimethylaniline;N,N-dimethyl-1-phenylmethanamine;ethoxybenzene;ethoxycyclohexane;3-ethoxy-1-fluoro-1-methylcyclobutane;3-ethoxyoxane;2-ethoxy-1,1,1-trifluoroethane;ethylbenzene;ethylcyclohexane;2-ethyloxane;3-ethyloxane;1-ethylpiperidine;2-ethylpyridine;3-ethylpyridine;methoxycyclohexane;methoxymethylbenzene;bis(N-methylaniline);bis(N-methylcyclohexanamine);N-methyloxan-2-amine;N-methyloxan-3-amine;bis(N-methyl-1-phenylmethanamine);N-methylpyridin-2-amine;N-methylpyridin-3-amine;N-methyl-1-pyridin-2-ylmethanamine;N-methyl-1-pyridin-3-ylmethanamine |
|---|---|
| PubChem CID | 162079770 |
| Molecular Formula | C214H345F4N21O13 |
| Molecular Weight | 3496.24 g/mol |
| Exact Mass | 3493.69 |
| IUPAC Name | anisole;N,N-dimethylaniline;N,N-dimethyl-1-phenylmethanamine;ethoxybenzene;ethoxycyclohexane;3-ethoxy-1-fluoro-1-methylcyclobutane;3-ethoxyoxane;2-ethoxy-1,1,1-trifluoroethane;ethylbenzene;ethylcyclohexane;2-ethyloxane;3-ethyloxane;1-ethylpiperidine;2-ethylpyridine;3-ethylpyridine;methoxycyclohexane;methoxymethylbenzene;bis(N-methylaniline);bis(N-methylcyclohexanamine);N-methyloxan-2-amine;N-methyloxan-3-amine;bis(N-methyl-1-phenylmethanamine);N-methylpyridin-2-amine;N-methylpyridin-3-amine;N-methyl-1-pyridin-2-ylmethanamine;N-methyl-1-pyridin-3-ylmethanamine |
| SMILES | CCC1CCCCC1.CCC1CCCCO1.CCC1CCCOC1.CCN1CCCCC1.CCOC1CC(C)(F)C1.CCOC1CCCCC1.CCOC1CCCOC1.CCOCC(F)(F)F.CCOc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccn1.CCc1cccnc1.CN(C)Cc1ccccc1.CN(C)c1ccccc1.CNC1CCCCC1.CNC1CCCCC1.CNC1CCCCO1.CNC1CCCOC1.CNCc1ccccc1.CNCc1ccccc1.CNCc1ccccn1.CNCc1cccnc1.CNc1ccccc1.CNc1ccccc1.CNc1ccccn1.CNc1cccnc1.COC1CCCCC1.COCc1ccccc1.COc1ccccc1 |
| InChI | InChI=1S/C9H13N.3C8H11N.C8H10O.C8H16O.C8H10O.C8H16.2C8H10.C7H13FO.2C7H10N2.2C7H15N.3C7H9N.C7H15N.C7H9N.C7H14O2.C7H14O.C7H8O.2C7H14O.2C6H8N2.2C6H13NO.C4H7F3O/c1-10(2)8-9-6-4-3-5-7-9;1-9(2)8-6-4-3-5-7-8;3*1-9-7-8-5-3-2-4-6-8;2*1-2-9-8-6-4-3-5-7-8;3*1-2-8-6-4-3-5-7-8;1-3-9-6-4-7(2,8)5-6;1-8-5-7-3-2-4-9-6-7;1-8-6-7-4-2-3-5-9-7;4*1-8-7-5-3-2-4-6-7;1-2-7-4-3-5-8-6-7;1-2-8-6-4-3-5-7-8;1-2-7-5-3-4-6-8-7;1-2-9-7-4-3-5-8-6-7;2*1-8-7-5-3-2-4-6-7;1-2-7-4-3-5-8-6-7;1-2-7-5-3-4-6-8-7;1-7-6-3-2-4-8-5-6;1-7-6-4-2-3-5-8-6;1-7-6-3-2-4-8-5-6;1-7-6-4-2-3-5-8-6;1-2-8-3-4(5,6)7/h3-7H,8H2,1-2H3;3-7H,1-2H3;2*2-6,9H,7H2,1H3;2-6H,7H2,1H3;8H,2-7H2,1H3;3-7H,2H2,1H3;8H,2-7H2,1H3;2*3-7H,2H2,1H3;6H,3-5H2,1-2H3;2-4,6,8H,5H2,1H3;2-5,8H,6H2,1H3;2*7-8H,2-6H2,1H3;2*2-6,8H,1H3;3-6H,2H2,1H3;2-7H2,1H3;3-6H,2H2,1H3;7H,2-6H2,1H3;7H,2-6H2,1H3;2-6H,1H3;2*7H,2-6H2,1H3;2-5,7H,1H3;2-5H,1H3,(H,7,8);2*6-7H,2-5H2,1H3;2-3H2,1H3 |
| InChIKey | ZCEKINOCGWHGQA-UHFFFAOYSA-N |
| XLogP | 48.49 |
| TPSA | 351.41 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 252 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3496.24 |
| LogP ≤ 5 | 48.49 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 34 |