N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)-3-methylphenoxy]ethyl]pyridine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)phenoxy]ethyl]pyridine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]methanediamine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]methanediamine
C147H190N16O6 — CID 158853726
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)-3-methylphenoxy]ethyl]pyridine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)phenoxy]ethyl]pyridine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]methanediamine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]methanediamine
SMILESCC(C)c1cccc(C(C)C)c1N(C)CN(C)c1ccccc1OCCc1ccccn1.CC1(C)CCN(c2ccccc2OCCc2ccccn2)C1.Cc1cc(C)c(N(C)CN(C)c2c(C)cccc2OCCc2ccccn2)c(C)c1.Cc1cc(C)c(N(C)CN(C)c2ccccc2OCCc2ccccn2)c(C)c1.Cc1cccc(OCCc2ccccn2)c1N(C)CN(C)c1c(C(C)C)cccc1C(C)C.Cc1cccc(OCCc2ccccn2)c1N1CCC(C)(C)C1
InChIInChI=1S/C29H39N3O.C28H37N3O.C26H33N3O.C25H31N3O.C20H26N2O.C19H24N2O/c1-21(2)25-14-11-15-26(22(3)4)29(25)32(7)20-31(6)28-23(5)12-10-16-27(28)33-19-17-24-13-8-9-18-30-24;1-21(2)24-13-11-14-25(22(3)4)28(24)31(6)20-30(5)26-15-7-8-16-27(26)32-19-17-23-12-9-10-18-29-23;1-19-16-21(3)25(22(4)17-19)28(5)18-29(6)26-20(2)10-9-12-24(26)30-15-13-23-11-7-8-14-27-23;1-19-16-20(2)25(21(3)17-19)28(5)18-27(4)23-11-6-7-12-24(23)29-15-13-22-10-8-9-14-26-22;1-16-7-6-9-18(19(16)22-13-11-20(2,3)15-22)23-14-10-17-8-4-5-12-21-17;1-19(2)11-13-21(15-19)17-8-3-4-9-18(17)22-14-10-16-7-5-6-12-20-16/h8-16,18,21-22H,17,19-20H2,1-7H3;7-16,18,21-22H,17,19-20H2,1-6H3;7-12,14,16-17H,13,15,18H2,1-6H3;6-12,14,16-17H,13,15,18H2,1-5H3;4-9,12H,10-11,13-15H2,1-3H3;3-9,12H,10-11,13-15H2,1-2H3
InChIKeyJEPFXSVVINDDEH-UHFFFAOYSA-N
MW2277.24 g/mol
LogP32.08
Rot. Bonds46
About N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)-3-methylphenoxy]ethyl]pyridine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)phenoxy]ethyl]pyridine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]methanediamine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]methanediamine
N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)-3-methylphenoxy]ethyl]pyridine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)phenoxy]ethyl]pyridine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]methanediamine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]methanediamine (PubChem CID 158853726) has the molecular formula C147H190N16O6 and a molecular weight of 2277.24 g/mol. Its IUPAC name is N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)-3-methylphenoxy]ethyl]pyridine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)phenoxy]ethyl]pyridine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]methanediamine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]methanediamine.
Molecular Properties
| Compound Name | N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)-3-methylphenoxy]ethyl]pyridine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)phenoxy]ethyl]pyridine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]methanediamine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]methanediamine |
|---|---|
| PubChem CID | 158853726 |
| Molecular Formula | C147H190N16O6 |
| Molecular Weight | 2277.24 g/mol |
| Exact Mass | 2275.51 |
| IUPAC Name | N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)-3-methylphenoxy]ethyl]pyridine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)phenoxy]ethyl]pyridine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]methanediamine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]methanediamine |
| SMILES | CC(C)c1cccc(C(C)C)c1N(C)CN(C)c1ccccc1OCCc1ccccn1.CC1(C)CCN(c2ccccc2OCCc2ccccn2)C1.Cc1cc(C)c(N(C)CN(C)c2c(C)cccc2OCCc2ccccn2)c(C)c1.Cc1cc(C)c(N(C)CN(C)c2ccccc2OCCc2ccccn2)c(C)c1.Cc1cccc(OCCc2ccccn2)c1N(C)CN(C)c1c(C(C)C)cccc1C(C)C.Cc1cccc(OCCc2ccccn2)c1N1CCC(C)(C)C1 |
| InChI | InChI=1S/C29H39N3O.C28H37N3O.C26H33N3O.C25H31N3O.C20H26N2O.C19H24N2O/c1-21(2)25-14-11-15-26(22(3)4)29(25)32(7)20-31(6)28-23(5)12-10-16-27(28)33-19-17-24-13-8-9-18-30-24;1-21(2)24-13-11-14-25(22(3)4)28(24)31(6)20-30(5)26-15-7-8-16-27(26)32-19-17-23-12-9-10-18-29-23;1-19-16-21(3)25(22(4)17-19)28(5)18-29(6)26-20(2)10-9-12-24(26)30-15-13-23-11-7-8-14-27-23;1-19-16-20(2)25(21(3)17-19)28(5)18-27(4)23-11-6-7-12-24(23)29-15-13-22-10-8-9-14-26-22;1-16-7-6-9-18(19(16)22-13-11-20(2,3)15-22)23-14-10-17-8-4-5-12-21-17;1-19(2)11-13-21(15-19)17-8-3-4-9-18(17)22-14-10-16-7-5-6-12-20-16/h8-16,18,21-22H,17,19-20H2,1-7H3;7-16,18,21-22H,17,19-20H2,1-6H3;7-12,14,16-17H,13,15,18H2,1-6H3;6-12,14,16-17H,13,15,18H2,1-5H3;4-9,12H,10-11,13-15H2,1-3H3;3-9,12H,10-11,13-15H2,1-2H3 |
| InChIKey | JEPFXSVVINDDEH-UHFFFAOYSA-N |
| XLogP | 32.08 |
| TPSA | 165.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 169 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2277.24 |
| LogP ≤ 5 | 32.08 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)-3-methylphenoxy]ethyl]pyridine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)phenoxy]ethyl]pyridine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]methanediamine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]methanediamine?
The IUPAC name of N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)-3-methylphenoxy]ethyl]pyridine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)phenoxy]ethyl]pyridine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]methanediamine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]methanediamine (CID 158853726) is N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)-3-methylphenoxy]ethyl]pyridine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)phenoxy]ethyl]pyridine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]methanediamine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]methanediamine.
What is the SMILES notation for N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)-3-methylphenoxy]ethyl]pyridine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)phenoxy]ethyl]pyridine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]methanediamine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]methanediamine?
The canonical SMILES for N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)-3-methylphenoxy]ethyl]pyridine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)phenoxy]ethyl]pyridine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]methanediamine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]methanediamine is CC(C)c1cccc(C(C)C)c1N(C)CN(C)c1ccccc1OCCc1ccccn1.CC1(C)CCN(c2ccccc2OCCc2ccccn2)C1.Cc1cc(C)c(N(C)CN(C)c2c(C)cccc2OCCc2ccccn2)c(C)c1.Cc1cc(C)c(N(C)CN(C)c2ccccc2OCCc2ccccn2)c(C)c1.Cc1cccc(OCCc2ccccn2)c1N(C)CN(C)c1c(C(C)C)cccc1C(C)C.Cc1cccc(OCCc2ccccn2)c1N1CCC(C)(C)C1.
What is the InChIKey of N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)-3-methylphenoxy]ethyl]pyridine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)phenoxy]ethyl]pyridine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]methanediamine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]methanediamine?
The InChIKey is JEPFXSVVINDDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O.C28H37N3O.C26H33N3O.C25H31N3O.C20H26N2O.C19H24N2O/c1-21(2)25-14-11-15-26(22(3)4)29(25)32(7)20-31(6)28-23(5)12-10-16-27(28)33-19-17-24-13-8-9-18-30-24;1-21(2)24-13-11-14-25(22(3)4)28(24)31(6)20-30(5)26-15-7-8-16-27(26)32-19-17-23-12-9-10-18-29-23;1-19-16-21(3)25(22(4)17-19)28(5)18-29(6)26-20(2)10-9-12-24(26)30-15-13-23-11-7-8-14-27-23;1-19-16-20(2)25(21(3)17-19)28(5)18-27(4)23-11-6-7-12-24(23)29-15-13-22-10-8-9-14-26-22;1-16-7-6-9-18(19(16)22-13-11-20(2,3)15-22)23-14-10-17-8-4-5-12-21-17;1-19(2)11-13-21(15-19)17-8-3-4-9-18(17)22-14-10-16-7-5-6-12-20-16/h8-16,18,21-22H,17,19-20H2,1-7H3;7-16,18,21-22H,17,19-20H2,1-6H3;7-12,14,16-17H,13,15,18H2,1-6H3;6-12,14,16-17H,13,15,18H2,1-5H3;4-9,12H,10-11,13-15H2,1-3H3;3-9,12H,10-11,13-15H2,1-2H3.
What are the key properties of N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)-3-methylphenoxy]ethyl]pyridine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)phenoxy]ethyl]pyridine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]methanediamine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]methanediamine?
N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)-3-methylphenoxy]ethyl]pyridine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)phenoxy]ethyl]pyridine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]methanediamine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]methanediamine has a molecular weight of 2277.24 g/mol, XLogP of 32.08, 46 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]-N'-(2,4,6-trimethylphenyl)methanediamine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)-3-methylphenoxy]ethyl]pyridine;2-[2-[2-(3,3-dimethylpyrrolidin-1-yl)phenoxy]ethyl]pyridine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-methyl-6-(2-pyridin-2-ylethoxy)phenyl]methanediamine;N'-[2,6-di(propan-2-yl)phenyl]-N,N'-dimethyl-N-[2-(2-pyridin-2-ylethoxy)phenyl]methanediamine is sourced from PubChem (CID 158853726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158853726 — identifiers, structure, computed properties (public domain)
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