[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole

C94H150N6O9 — CID 159033084

About [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole

[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole (PubChem CID 159033084) has the molecular formula C94H150N6O9 and a molecular weight of 1508.27 g/mol. Its IUPAC name is [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole.

Molecular Properties

• Compound Name: [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole
• PubChem CID: 159033084
• Molecular Formula: C94H150N6O9
• Molecular Weight: 1508.27 g/mol
• Exact Mass: 1507.15
• IUPAC Name: [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole
• SMILES: CC(C)(C)c1cc(C(C)(C)C)c(N)c(C(C)(C)C)c1.CCCCCCCCN(CCCCCCCC)CCCCCCCC.COCCN(CCOC)CCOCCOCCOc1c(CO)cccc1CO.Cc1ccc(N(CCO)CCO)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
• InChI: InChI=1S/C24H51N.C21H16N2.C20H35NO7.C18H31N.C11H17NO2/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-24-9-6-21(7-10-25-2)8-11-26-12-13-27-14-15-28-20-18(16-22)4-3-5-19(20)17-23;1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9;1-10-2-4-11(5-3-10)12(6-8-13)7-9-14/h4-24H2,1-3H3;1-15H,(H,22,23);3-5,22-23H,6-17H2,1-2H3;10-11H,19H2,1-9H3;2-5,13-14H,6-9H2,1H3
• InChIKey: JVCWNXPYUTZGDJ-UHFFFAOYSA-N
• XLogP: 20.41
• TPSA: 191.49 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 47
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1508.27
LogP ≤ 5	20.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole?

The IUPAC name of [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole (CID 159033084) is [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole.

What is the SMILES notation for [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole?

The canonical SMILES for [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole is CC(C)(C)c1cc(C(C)(C)C)c(N)c(C(C)(C)C)c1.CCCCCCCCN(CCCCCCCC)CCCCCCCC.COCCN(CCOC)CCOCCOCCOc1c(CO)cccc1CO.Cc1ccc(N(CCO)CCO)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.

What is the InChIKey of [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole?

The InChIKey is JVCWNXPYUTZGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N.C21H16N2.C20H35NO7.C18H31N.C11H17NO2/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-24-9-6-21(7-10-25-2)8-11-26-12-13-27-14-15-28-20-18(16-22)4-3-5-19(20)17-23;1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9;1-10-2-4-11(5-3-10)12(6-8-13)7-9-14/h4-24H2,1-3H3;1-15H,(H,22,23);3-5,22-23H,6-17H2,1-2H3;10-11H,19H2,1-9H3;2-5,13-14H,6-9H2,1H3.

What are the key properties of [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole?

[2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole has a molecular weight of 1508.27 g/mol, XLogP of 20.41, 47 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-[2-[2-[bis(2-methoxyethyl)amino]ethoxy]ethoxy]ethoxy]-3-(hydroxymethyl)phenyl]methanol;N,N-dioctyloctan-1-amine;2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol;2,4,6-tritert-butylaniline;2,4,5-triphenyl-1H-imidazole is sourced from PubChem (CID 159033084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).