3-(9H-carbazol-4-yloxy)-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-2-ol;2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine;1-[2-(2-methoxyphenoxy)ethylamino]-3-(9-methylcarbazol-4-yl)oxypropan-2-ol
C102H116N8O16 — CID 159401542
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-(9H-carbazol-4-yloxy)-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-2-ol;2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine;1-[2-(2-methoxyphenoxy)ethylamino]-3-(9-methylcarbazol-4-yl)oxypropan-2-ol
SMILESCOc1ccccc1OCCN(C)CC(COc1cccc2c1c1ccccc1n2C)OC.COc1ccccc1OCCN(C)CC(O)COc1cccc2[nH]c3ccccc3c12.COc1ccccc1OCCNCC(COc1cccc2[nH]c3ccccc3c12)OC.COc1ccccc1OCCNCC(O)COc1cccc2c1c1ccccc1n2C
InChIInChI=1S/C27H32N2O4.3C25H28N2O4/c1-28(16-17-32-25-14-8-7-13-24(25)31-4)18-20(30-3)19-33-26-15-9-12-23-27(26)21-10-5-6-11-22(21)29(23)2;1-27(14-15-30-23-12-6-5-11-22(23)29-2)16-18(28)17-31-24-13-7-10-21-25(24)19-8-3-4-9-20(19)26-21;1-28-18(16-26-14-15-30-23-12-6-5-11-22(23)29-2)17-31-24-13-7-10-21-25(24)19-8-3-4-9-20(19)27-21;1-27-20-9-4-3-8-19(20)25-21(27)10-7-13-24(25)31-17-18(28)16-26-14-15-30-23-12-6-5-11-22(23)29-2/h5-15,20H,16-19H2,1-4H3;3-13,18,26,28H,14-17H2,1-2H3;3-13,18,26-27H,14-17H2,1-2H3;3-13,18,26,28H,14-17H2,1-2H3
InChIKeyLNKBTQZYTHBLFM-UHFFFAOYSA-N
MW1710.09 g/mol
LogP16.97
Rot. Bonds42
About 3-(9H-carbazol-4-yloxy)-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-2-ol;2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine;1-[2-(2-methoxyphenoxy)ethylamino]-3-(9-methylcarbazol-4-yl)oxypropan-2-ol
3-(9H-carbazol-4-yloxy)-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-2-ol;2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine;1-[2-(2-methoxyphenoxy)ethylamino]-3-(9-methylcarbazol-4-yl)oxypropan-2-ol (PubChem CID 159401542) has the molecular formula C102H116N8O16 and a molecular weight of 1710.09 g/mol. Its IUPAC name is 3-(9H-carbazol-4-yloxy)-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-2-ol;2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine;1-[2-(2-methoxyphenoxy)ethylamino]-3-(9-methylcarbazol-4-yl)oxypropan-2-ol.
Molecular Properties
| Compound Name | 3-(9H-carbazol-4-yloxy)-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-2-ol;2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine;1-[2-(2-methoxyphenoxy)ethylamino]-3-(9-methylcarbazol-4-yl)oxypropan-2-ol |
|---|---|
| PubChem CID | 159401542 |
| Molecular Formula | C102H116N8O16 |
| Molecular Weight | 1710.09 g/mol |
| Exact Mass | 1708.85 |
| IUPAC Name | 3-(9H-carbazol-4-yloxy)-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-2-ol;2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine;1-[2-(2-methoxyphenoxy)ethylamino]-3-(9-methylcarbazol-4-yl)oxypropan-2-ol |
| SMILES | COc1ccccc1OCCN(C)CC(COc1cccc2c1c1ccccc1n2C)OC.COc1ccccc1OCCN(C)CC(O)COc1cccc2[nH]c3ccccc3c12.COc1ccccc1OCCNCC(COc1cccc2[nH]c3ccccc3c12)OC.COc1ccccc1OCCNCC(O)COc1cccc2c1c1ccccc1n2C |
| InChI | InChI=1S/C27H32N2O4.3C25H28N2O4/c1-28(16-17-32-25-14-8-7-13-24(25)31-4)18-20(30-3)19-33-26-15-9-12-23-27(26)21-10-5-6-11-22(21)29(23)2;1-27(14-15-30-23-12-6-5-11-22(23)29-2)16-18(28)17-31-24-13-7-10-21-25(24)19-8-3-4-9-20(19)26-21;1-28-18(16-26-14-15-30-23-12-6-5-11-22(23)29-2)17-31-24-13-7-10-21-25(24)19-8-3-4-9-20(19)27-21;1-27-20-9-4-3-8-19(20)25-21(27)10-7-13-24(25)31-17-18(28)16-26-14-15-30-23-12-6-5-11-22(23)29-2/h5-15,20H,16-19H2,1-4H3;3-13,18,26,28H,14-17H2,1-2H3;3-13,18,26-27H,14-17H2,1-2H3;3-13,18,26,28H,14-17H2,1-2H3 |
| InChIKey | LNKBTQZYTHBLFM-UHFFFAOYSA-N |
| XLogP | 16.97 |
| TPSA | 241.66 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 126 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1710.09 |
| LogP ≤ 5 | 16.97 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 22 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 3-(9H-carbazol-4-yloxy)-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-2-ol;2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine;1-[2-(2-methoxyphenoxy)ethylamino]-3-(9-methylcarbazol-4-yl)oxypropan-2-ol?
The IUPAC name of 3-(9H-carbazol-4-yloxy)-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-2-ol;2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine;1-[2-(2-methoxyphenoxy)ethylamino]-3-(9-methylcarbazol-4-yl)oxypropan-2-ol (CID 159401542) is 3-(9H-carbazol-4-yloxy)-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-2-ol;2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine;1-[2-(2-methoxyphenoxy)ethylamino]-3-(9-methylcarbazol-4-yl)oxypropan-2-ol.
What is the SMILES notation for 3-(9H-carbazol-4-yloxy)-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-2-ol;2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine;1-[2-(2-methoxyphenoxy)ethylamino]-3-(9-methylcarbazol-4-yl)oxypropan-2-ol?
The canonical SMILES for 3-(9H-carbazol-4-yloxy)-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-2-ol;2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine;1-[2-(2-methoxyphenoxy)ethylamino]-3-(9-methylcarbazol-4-yl)oxypropan-2-ol is COc1ccccc1OCCN(C)CC(COc1cccc2c1c1ccccc1n2C)OC.COc1ccccc1OCCN(C)CC(O)COc1cccc2[nH]c3ccccc3c12.COc1ccccc1OCCNCC(COc1cccc2[nH]c3ccccc3c12)OC.COc1ccccc1OCCNCC(O)COc1cccc2c1c1ccccc1n2C.
What is the InChIKey of 3-(9H-carbazol-4-yloxy)-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-2-ol;2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine;1-[2-(2-methoxyphenoxy)ethylamino]-3-(9-methylcarbazol-4-yl)oxypropan-2-ol?
The InChIKey is LNKBTQZYTHBLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4.3C25H28N2O4/c1-28(16-17-32-25-14-8-7-13-24(25)31-4)18-20(30-3)19-33-26-15-9-12-23-27(26)21-10-5-6-11-22(21)29(23)2;1-27(14-15-30-23-12-6-5-11-22(23)29-2)16-18(28)17-31-24-13-7-10-21-25(24)19-8-3-4-9-20(19)26-21;1-28-18(16-26-14-15-30-23-12-6-5-11-22(23)29-2)17-31-24-13-7-10-21-25(24)19-8-3-4-9-20(19)27-21;1-27-20-9-4-3-8-19(20)25-21(27)10-7-13-24(25)31-17-18(28)16-26-14-15-30-23-12-6-5-11-22(23)29-2/h5-15,20H,16-19H2,1-4H3;3-13,18,26,28H,14-17H2,1-2H3;3-13,18,26-27H,14-17H2,1-2H3;3-13,18,26,28H,14-17H2,1-2H3.
What are the key properties of 3-(9H-carbazol-4-yloxy)-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-2-ol;2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine;1-[2-(2-methoxyphenoxy)ethylamino]-3-(9-methylcarbazol-4-yl)oxypropan-2-ol?
3-(9H-carbazol-4-yloxy)-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-2-ol;2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine;1-[2-(2-methoxyphenoxy)ethylamino]-3-(9-methylcarbazol-4-yl)oxypropan-2-ol has a molecular weight of 1710.09 g/mol, XLogP of 16.97, 42 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-carbazol-4-yloxy)-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-2-ol;2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine;1-[2-(2-methoxyphenoxy)ethylamino]-3-(9-methylcarbazol-4-yl)oxypropan-2-ol is sourced from PubChem (CID 159401542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159401542 — identifiers, structure, computed properties (public domain)
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