2,3,4-tris[(dimethylamino)methyl]phenol

C15H27N3O — CID 3015276

IUPAC2,3,4-tris[(dimethylamino)methyl]phenol
SMILESCN(C)Cc1ccc(O)c(CN(C)C)c1CN(C)C
InChIInChI=1S/C15H27N3O/c1-16(2)9-12-7-8-15(19)14(11-18(5)6)13(12)10-17(3)4/h7-8,19H,9-11H2,1-6H3
InChIKeyCIPOCPJRYUFXLL-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.58
Rot. Bonds6

About 2,3,4-tris[(dimethylamino)methyl]phenol

2,3,4-tris[(dimethylamino)methyl]phenol (PubChem CID 3015276) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2,3,4-tris[(dimethylamino)methyl]phenol.

Molecular Properties

Compound Name2,3,4-tris[(dimethylamino)methyl]phenol
PubChem CID3015276
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2,3,4-tris[(dimethylamino)methyl]phenol
SMILESCN(C)Cc1ccc(O)c(CN(C)C)c1CN(C)C
InChIInChI=1S/C15H27N3O/c1-16(2)9-12-7-8-15(19)14(11-18(5)6)13(12)10-17(3)4/h7-8,19H,9-11H2,1-6H3
InChIKeyCIPOCPJRYUFXLL-UHFFFAOYSA-N
XLogP1.58
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-tris[(dimethylamino)methyl]phenol?
The IUPAC name of 2,3,4-tris[(dimethylamino)methyl]phenol (CID 3015276) is 2,3,4-tris[(dimethylamino)methyl]phenol.
What is the SMILES notation for 2,3,4-tris[(dimethylamino)methyl]phenol?
The canonical SMILES for 2,3,4-tris[(dimethylamino)methyl]phenol is CN(C)Cc1ccc(O)c(CN(C)C)c1CN(C)C.
What is the InChIKey of 2,3,4-tris[(dimethylamino)methyl]phenol?
The InChIKey is CIPOCPJRYUFXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-16(2)9-12-7-8-15(19)14(11-18(5)6)13(12)10-17(3)4/h7-8,19H,9-11H2,1-6H3.
What are the key properties of 2,3,4-tris[(dimethylamino)methyl]phenol?
2,3,4-tris[(dimethylamino)methyl]phenol has a molecular weight of 265.40 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tris[(dimethylamino)methyl]phenol is sourced from PubChem (CID 3015276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).