2-(methylaminomethyl)-4,6-di(nonyl)phenol

C26H47NO — CID 23346792

IUPAC2-(methylaminomethyl)-4,6-di(nonyl)phenol
SMILESCCCCCCCCCc1cc(CCCCCCCCC)c(O)c(CNC)c1
InChIInChI=1S/C26H47NO/c1-4-6-8-10-12-14-16-18-23-20-24(26(28)25(21-23)22-27-3)19-17-15-13-11-9-7-5-2/h20-21,27-28H,4-19,22H2,1-3H3
InChIKeyXAZMLHVKRMOJJJ-UHFFFAOYSA-N
MW389.67 g/mol
LogP7.70
Rot. Bonds18

About 2-(methylaminomethyl)-4,6-di(nonyl)phenol

2-(methylaminomethyl)-4,6-di(nonyl)phenol (PubChem CID 23346792) has the molecular formula C26H47NO and a molecular weight of 389.67 g/mol. Its IUPAC name is 2-(methylaminomethyl)-4,6-di(nonyl)phenol.

Molecular Properties

Compound Name2-(methylaminomethyl)-4,6-di(nonyl)phenol
PubChem CID23346792
Molecular FormulaC26H47NO
Molecular Weight389.67 g/mol
Exact Mass389.37
IUPAC Name2-(methylaminomethyl)-4,6-di(nonyl)phenol
SMILESCCCCCCCCCc1cc(CCCCCCCCC)c(O)c(CNC)c1
InChIInChI=1S/C26H47NO/c1-4-6-8-10-12-14-16-18-23-20-24(26(28)25(21-23)22-27-3)19-17-15-13-11-9-7-5-2/h20-21,27-28H,4-19,22H2,1-3H3
InChIKeyXAZMLHVKRMOJJJ-UHFFFAOYSA-N
XLogP7.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.67
LogP ≤ 57.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-triheptylphenol
CID 139692303
4-butyl-2,6-didodecylphenol
CID 66619638
2-ethyl-4-heptyl-6-pentylphenol
CID 66879967
2-butyl-4-pentyl-6-propylphenol
CID 66878895
2-butyl-6-ethyl-4-pentylphenol
CID 66879170
2,4,6-tris[10-(didecylamino)decyl]phenol
CID 150630687
2,6-diethyl-4-pentylphenol
CID 66879488
2,4,6-tributylphenol;zirconium(2+);dichloride
CID 174692892
2-[[2-hydroxy-3-(hydroxymethyl)-5-nonylphenyl]methyl]-6-(hydroxymethyl)-4-nonylphenol
CID 118909015
2-ethyl-6-pentyl-4-propylphenol
CID 66878892
2-(2-hydroxy-3,5-dioctadecylphenyl)sulfanyl-4,6-dioctadecylphenol
CID 21499299
2,6-di(tridecyl)benzene-1,4-diol
CID 19033571

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-4,6-di(nonyl)phenol?
The IUPAC name of 2-(methylaminomethyl)-4,6-di(nonyl)phenol (CID 23346792) is 2-(methylaminomethyl)-4,6-di(nonyl)phenol.
What is the SMILES notation for 2-(methylaminomethyl)-4,6-di(nonyl)phenol?
The canonical SMILES for 2-(methylaminomethyl)-4,6-di(nonyl)phenol is CCCCCCCCCc1cc(CCCCCCCCC)c(O)c(CNC)c1.
What is the InChIKey of 2-(methylaminomethyl)-4,6-di(nonyl)phenol?
The InChIKey is XAZMLHVKRMOJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47NO/c1-4-6-8-10-12-14-16-18-23-20-24(26(28)25(21-23)22-27-3)19-17-15-13-11-9-7-5-2/h20-21,27-28H,4-19,22H2,1-3H3.
What are the key properties of 2-(methylaminomethyl)-4,6-di(nonyl)phenol?
2-(methylaminomethyl)-4,6-di(nonyl)phenol has a molecular weight of 389.67 g/mol, XLogP of 7.70, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-4,6-di(nonyl)phenol is sourced from PubChem (CID 23346792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).