2,4,6-tris[(dimethylamino)methyl]phenol

C15H27N3O — CID 7026

IUPAC2,4,6-tris[(dimethylamino)methyl]phenol
SMILESCN(C)Cc1cc(CN(C)C)c(O)c(CN(C)C)c1
InChIInChI=1S/C15H27N3O/c1-16(2)9-12-7-13(10-17(3)4)15(19)14(8-12)11-18(5)6/h7-8,19H,9-11H2,1-6H3
InChIKeyAHDSRXYHVZECER-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.58
Rot. Bonds6

About 2,4,6-tris[(dimethylamino)methyl]phenol

2,4,6-tris[(dimethylamino)methyl]phenol (PubChem CID 7026) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2,4,6-tris[(dimethylamino)methyl]phenol.

Molecular Properties

Compound Name2,4,6-tris[(dimethylamino)methyl]phenol
PubChem CID7026
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2,4,6-tris[(dimethylamino)methyl]phenol
SMILESCN(C)Cc1cc(CN(C)C)c(O)c(CN(C)C)c1
InChIInChI=1S/C15H27N3O/c1-16(2)9-12-7-13(10-17(3)4)15(19)14(8-12)11-18(5)6/h7-8,19H,9-11H2,1-6H3
InChIKeyAHDSRXYHVZECER-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'}

Analyze 2,4,6-tris[(dimethylamino)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

thiocyanic acid;2,4,6-tris[(dimethylamino)methyl]phenol
CID 87898895
2,3,4-tris[(dimethylamino)methyl]phenol;2,4,6-tris[(dimethylamino)methyl]phenol
CID 160526541
4-chloro-2,6-bis[(dimethylamino)methyl]phenol;dihydrochloride
CID 131844775
2,6-bis[(dimethylamino)methyl]-4-[(2R)-2-methylbutyl]phenol
CID 40800557
4-[(dimethylamino)methyl]-2,6-difluorophenol
CID 82977010
2,4-bis(2-aminopropyl)-6-[(dimethylamino)methyl]phenol
CID 71217119
2,4,6-tris(diethylaminomethyl)phenol
CID 18544187
2-[3-[(dimethylamino)methyl]-2-hydroxy-5-methylphenyl]acetic acid
CID 82392010
1-[3-[(dimethylamino)methyl]-5-ethyl-4-methylphenyl]-N,N-dimethylmethanamine
CID 58261025
4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
CID 10066574
[3-[(dimethylamino)methyl]-5-(hydroxymethyl)phenyl]methanol
CID 67196676
2,4-diamino-6-[(dimethylamino)methyl]phenol
CID 123247058

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[(dimethylamino)methyl]phenol?
The IUPAC name of 2,4,6-tris[(dimethylamino)methyl]phenol (CID 7026) is 2,4,6-tris[(dimethylamino)methyl]phenol.
What is the SMILES notation for 2,4,6-tris[(dimethylamino)methyl]phenol?
The canonical SMILES for 2,4,6-tris[(dimethylamino)methyl]phenol is CN(C)Cc1cc(CN(C)C)c(O)c(CN(C)C)c1.
What is the InChIKey of 2,4,6-tris[(dimethylamino)methyl]phenol?
The InChIKey is AHDSRXYHVZECER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-16(2)9-12-7-13(10-17(3)4)15(19)14(8-12)11-18(5)6/h7-8,19H,9-11H2,1-6H3.
What are the key properties of 2,4,6-tris[(dimethylamino)methyl]phenol?
2,4,6-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 2,4,6-tris[(dimethylamino)methyl]phenol is sourced from PubChem (CID 7026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).