2-[(didecylamino)methyl]phenol

C27H49NO — CID 3047162

IUPAC2-[(didecylamino)methyl]phenol
SMILESCCCCCCCCCCN(CCCCCCCCCC)Cc1ccccc1O
InChIInChI=1S/C27H49NO/c1-3-5-7-9-11-13-15-19-23-28(25-26-21-17-18-22-27(26)29)24-20-16-14-12-10-8-6-4-2/h17-18,21-22,29H,3-16,19-20,23-25H2,1-2H3
InChIKeyUGKINPHECAPVGU-UHFFFAOYSA-N
MW403.70 g/mol
LogP8.48
Rot. Bonds20

About 2-[(didecylamino)methyl]phenol

2-[(didecylamino)methyl]phenol (PubChem CID 3047162) has the molecular formula C27H49NO and a molecular weight of 403.70 g/mol. Its IUPAC name is 2-[(didecylamino)methyl]phenol.

Molecular Properties

Compound Name2-[(didecylamino)methyl]phenol
PubChem CID3047162
Molecular FormulaC27H49NO
Molecular Weight403.70 g/mol
Exact Mass403.38
IUPAC Name2-[(didecylamino)methyl]phenol
SMILESCCCCCCCCCCN(CCCCCCCCCC)Cc1ccccc1O
InChIInChI=1S/C27H49NO/c1-3-5-7-9-11-13-15-19-23-28(25-26-21-17-18-22-27(26)29)24-20-16-14-12-10-8-6-4-2/h17-18,21-22,29H,3-16,19-20,23-25H2,1-2H3
InChIKeyUGKINPHECAPVGU-UHFFFAOYSA-N
XLogP8.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.70
LogP ≤ 58.48
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-[(didecylamino)methyl]phenol?
The IUPAC name of 2-[(didecylamino)methyl]phenol (CID 3047162) is 2-[(didecylamino)methyl]phenol.
What is the SMILES notation for 2-[(didecylamino)methyl]phenol?
The canonical SMILES for 2-[(didecylamino)methyl]phenol is CCCCCCCCCCN(CCCCCCCCCC)Cc1ccccc1O.
What is the InChIKey of 2-[(didecylamino)methyl]phenol?
The InChIKey is UGKINPHECAPVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H49NO/c1-3-5-7-9-11-13-15-19-23-28(25-26-21-17-18-22-27(26)29)24-20-16-14-12-10-8-6-4-2/h17-18,21-22,29H,3-16,19-20,23-25H2,1-2H3.
What are the key properties of 2-[(didecylamino)methyl]phenol?
2-[(didecylamino)methyl]phenol has a molecular weight of 403.70 g/mol, XLogP of 8.48, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(didecylamino)methyl]phenol is sourced from PubChem (CID 3047162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).