2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol

C41H54N2O2 — CID 153470085

About 2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol

2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol (PubChem CID 153470085) has the molecular formula C41H54N2O2 and a molecular weight of 606.90 g/mol. Its IUPAC name is 2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol.

Molecular Properties

• Compound Name: 2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol
• PubChem CID: 153470085
• Molecular Formula: C41H54N2O2
• Molecular Weight: 606.90 g/mol
• Exact Mass: 606.42
• IUPAC Name: 2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol
• SMILES: Cc1cc(CCN(CCN(C)C)Cc2cc(C)cc(-c3c(C(C)C)cccc3C(C)C)c2O)c(O)c(-c2c(C)cccc2C)c1
• InChI: InChI=1S/C41H54N2O2/c1-26(2)34-15-12-16-35(27(3)4)39(34)37-24-29(6)22-33(41(37)45)25-43(20-19-42(9)10)18-17-32-21-28(5)23-36(40(32)44)38-30(7)13-11-14-31(38)8/h11-16,21-24,26-27,44-45H,17-20,25H2,1-10H3
• InChIKey: LYNQOJXXFQURNC-UHFFFAOYSA-N
• XLogP: 9.52
• TPSA: 46.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.90
LogP ≤ 5	9.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol?

The IUPAC name of 2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol (CID 153470085) is 2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol.

What is the SMILES notation for 2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol?

The canonical SMILES for 2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol is Cc1cc(CCN(CCN(C)C)Cc2cc(C)cc(-c3c(C(C)C)cccc3C(C)C)c2O)c(O)c(-c2c(C)cccc2C)c1.

What is the InChIKey of 2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol?

The InChIKey is LYNQOJXXFQURNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H54N2O2/c1-26(2)34-15-12-16-35(27(3)4)39(34)37-24-29(6)22-33(41(37)45)25-43(20-19-42(9)10)18-17-32-21-28(5)23-36(40(32)44)38-30(7)13-11-14-31(38)8/h11-16,21-24,26-27,44-45H,17-20,25H2,1-10H3.

What are the key properties of 2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol?

2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol has a molecular weight of 606.90 g/mol, XLogP of 9.52, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-(dimethylamino)ethyl-[[3-[2,6-di(propan-2-yl)phenyl]-2-hydroxy-5-methylphenyl]methyl]amino]ethyl]-6-(2,6-dimethylphenyl)-4-methylphenol is sourced from PubChem (CID 153470085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).