2,4,6-tris[3-(dimethylamino)prop-2-enyl]phenol

C21H33N3O — CID 173444529

IUPAC2,4,6-tris[3-(dimethylamino)prop-2-enyl]phenol
SMILESCN(C)C=CCc1cc(CC=CN(C)C)c(O)c(CC=CN(C)C)c1
InChIInChI=1S/C21H33N3O/c1-22(2)13-7-10-18-16-19(11-8-14-23(3)4)21(25)20(17-18)12-9-15-24(5)6/h7-9,13-17,25H,10-12H2,1-6H3
InChIKeyZQXOCLKWCHOCCK-UHFFFAOYSA-N
MW343.52 g/mol
LogP3.25
Rot. Bonds9

About 2,4,6-tris[3-(dimethylamino)prop-2-enyl]phenol

2,4,6-tris[3-(dimethylamino)prop-2-enyl]phenol (PubChem CID 173444529) has the molecular formula C21H33N3O and a molecular weight of 343.52 g/mol. Its IUPAC name is 2,4,6-tris[3-(dimethylamino)prop-2-enyl]phenol.

Molecular Properties

Compound Name2,4,6-tris[3-(dimethylamino)prop-2-enyl]phenol
PubChem CID173444529
Molecular FormulaC21H33N3O
Molecular Weight343.52 g/mol
Exact Mass343.26
IUPAC Name2,4,6-tris[3-(dimethylamino)prop-2-enyl]phenol
SMILESCN(C)C=CCc1cc(CC=CN(C)C)c(O)c(CC=CN(C)C)c1
InChIInChI=1S/C21H33N3O/c1-22(2)13-7-10-18-16-19(11-8-14-23(3)4)21(25)20(17-18)12-9-15-24(5)6/h7-9,13-17,25H,10-12H2,1-6H3
InChIKeyZQXOCLKWCHOCCK-UHFFFAOYSA-N
XLogP3.25
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4,6-tris[3-(dimethylamino)prop-2-enyl]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

2,4-Dimethyl-6-(1-methylpentadecyl)phenol
CID 164362
2,4-Dinonylphenol
CID 8735
4,6-Dinonyl-o-cresol
CID 76383
4-Butyl-2-methylphenol
CID 10964856
Phenol, 4-methyl-2-nonyl-
CID 83233
4-Nonyl-o-cresol
CID 84426
2,6-Dinonyl-p-cresol
CID 113237
Phenol, 2-isononyl-4-methyl-
CID 120111
2-Butyl-4-methylphenol
CID 81319
2,4-Dioctylphenol
CID 74548
2,4-Dipentylphenol
CID 34303
o-Cresol, alpha-(dimethylamino)-4-ethyl-
CID 41672

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[3-(dimethylamino)prop-2-enyl]phenol?
The IUPAC name of 2,4,6-tris[3-(dimethylamino)prop-2-enyl]phenol (CID 173444529) is 2,4,6-tris[3-(dimethylamino)prop-2-enyl]phenol.
What is the SMILES notation for 2,4,6-tris[3-(dimethylamino)prop-2-enyl]phenol?
The canonical SMILES for 2,4,6-tris[3-(dimethylamino)prop-2-enyl]phenol is CN(C)C=CCc1cc(CC=CN(C)C)c(O)c(CC=CN(C)C)c1.
What is the InChIKey of 2,4,6-tris[3-(dimethylamino)prop-2-enyl]phenol?
The InChIKey is ZQXOCLKWCHOCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-22(2)13-7-10-18-16-19(11-8-14-23(3)4)21(25)20(17-18)12-9-15-24(5)6/h7-9,13-17,25H,10-12H2,1-6H3.
What are the key properties of 2,4,6-tris[3-(dimethylamino)prop-2-enyl]phenol?
2,4,6-tris[3-(dimethylamino)prop-2-enyl]phenol has a molecular weight of 343.52 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[3-(dimethylamino)prop-2-enyl]phenol is sourced from PubChem (CID 173444529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).