2-[[2-(dimethylamino)ethyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol

C19H27N3O — CID 90899193

IUPAC2-[[2-(dimethylamino)ethyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(CN(CCN(C)C)Cc2ccccn2)c1
InChIInChI=1S/C19H27N3O/c1-15-11-16(2)19(23)17(12-15)13-22(10-9-21(3)4)14-18-7-5-6-8-20-18/h5-8,11-12,23H,9-10,13-14H2,1-4H3
InChIKeyMCDLDOSEZAVSOC-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.97
Rot. Bonds7

About 2-[[2-(dimethylamino)ethyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol

2-[[2-(dimethylamino)ethyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol (PubChem CID 90899193) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)ethyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol.

Molecular Properties

Compound Name2-[[2-(dimethylamino)ethyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol
PubChem CID90899193
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name2-[[2-(dimethylamino)ethyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(CN(CCN(C)C)Cc2ccccn2)c1
InChIInChI=1S/C19H27N3O/c1-15-11-16(2)19(23)17(12-15)13-22(10-9-21(3)4)14-18-7-5-6-8-20-18/h5-8,11-12,23H,9-10,13-14H2,1-4H3
InChIKeyMCDLDOSEZAVSOC-UHFFFAOYSA-N
XLogP2.97
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2-(dimethylamino)ethyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)ethyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol?
The IUPAC name of 2-[[2-(dimethylamino)ethyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol (CID 90899193) is 2-[[2-(dimethylamino)ethyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol.
What is the SMILES notation for 2-[[2-(dimethylamino)ethyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol?
The canonical SMILES for 2-[[2-(dimethylamino)ethyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol is Cc1cc(C)c(O)c(CN(CCN(C)C)Cc2ccccn2)c1.
What is the InChIKey of 2-[[2-(dimethylamino)ethyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol?
The InChIKey is MCDLDOSEZAVSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-15-11-16(2)19(23)17(12-15)13-22(10-9-21(3)4)14-18-7-5-6-8-20-18/h5-8,11-12,23H,9-10,13-14H2,1-4H3.
What are the key properties of 2-[[2-(dimethylamino)ethyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol?
2-[[2-(dimethylamino)ethyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol has a molecular weight of 313.45 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)ethyl-(pyridin-2-ylmethyl)amino]methyl]-4,6-dimethylphenol is sourced from PubChem (CID 90899193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).