2-[[3-(dimethylamino)propylamino]methyl]-4-pyridin-3-ylphenol

C17H23N3O — CID 45488914

IUPAC2-[[3-(dimethylamino)propylamino]methyl]-4-pyridin-3-ylphenol
SMILESCN(C)CCCNCc1cc(-c2cccnc2)ccc1O
InChIInChI=1S/C17H23N3O/c1-20(2)10-4-9-19-13-16-11-14(6-7-17(16)21)15-5-3-8-18-12-15/h3,5-8,11-12,19,21H,4,9-10,13H2,1-2H3
InChIKeyCLBPCHZLVNUGBS-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.50
Rot. Bonds7

About 2-[[3-(dimethylamino)propylamino]methyl]-4-pyridin-3-ylphenol

2-[[3-(dimethylamino)propylamino]methyl]-4-pyridin-3-ylphenol (PubChem CID 45488914) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)propylamino]methyl]-4-pyridin-3-ylphenol.

Molecular Properties

Compound Name2-[[3-(dimethylamino)propylamino]methyl]-4-pyridin-3-ylphenol
PubChem CID45488914
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[[3-(dimethylamino)propylamino]methyl]-4-pyridin-3-ylphenol
SMILESCN(C)CCCNCc1cc(-c2cccnc2)ccc1O
InChIInChI=1S/C17H23N3O/c1-20(2)10-4-9-19-13-16-11-14(6-7-17(16)21)15-5-3-8-18-12-15/h3,5-8,11-12,19,21H,4,9-10,13H2,1-2H3
InChIKeyCLBPCHZLVNUGBS-UHFFFAOYSA-N
XLogP2.50
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[3-(dimethylamino)propylamino]methyl]-4-pyridin-3-ylphenol 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

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
NoName_714
CID 135489221
US9682910, 4-(Pyridin-3yl)benzene-1,3-diol (3)
CID 22001174
5-(1,1-Dimethyl-heptyl)-2-pyridin-3-yl-phenol
CID 11551123
4''-(1-(Pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854448
4''-(2-Methyl-1-(pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854449
3-Fluoro-4''-(1-(pyridin-4-yl)propyl)biphenyl-4-ol
CID 46854606
3-Fluoro-4''-(pyridin-4-ylmethyl)biphenyl-4-ol
CID 46901611
3-(2,4-Dihydroxybenzylidene)anabaseine
CID 135461178
4-[2-(2-Pyridinyl)ethyl]phenol
CID 279650
Nicanartine
CID 66001
4-Methyl-2-{[(pyridin-2-yl)amino]methyl}phenol
CID 649046

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)propylamino]methyl]-4-pyridin-3-ylphenol?
The IUPAC name of 2-[[3-(dimethylamino)propylamino]methyl]-4-pyridin-3-ylphenol (CID 45488914) is 2-[[3-(dimethylamino)propylamino]methyl]-4-pyridin-3-ylphenol.
What is the SMILES notation for 2-[[3-(dimethylamino)propylamino]methyl]-4-pyridin-3-ylphenol?
The canonical SMILES for 2-[[3-(dimethylamino)propylamino]methyl]-4-pyridin-3-ylphenol is CN(C)CCCNCc1cc(-c2cccnc2)ccc1O.
What is the InChIKey of 2-[[3-(dimethylamino)propylamino]methyl]-4-pyridin-3-ylphenol?
The InChIKey is CLBPCHZLVNUGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-20(2)10-4-9-19-13-16-11-14(6-7-17(16)21)15-5-3-8-18-12-15/h3,5-8,11-12,19,21H,4,9-10,13H2,1-2H3.
What are the key properties of 2-[[3-(dimethylamino)propylamino]methyl]-4-pyridin-3-ylphenol?
2-[[3-(dimethylamino)propylamino]methyl]-4-pyridin-3-ylphenol has a molecular weight of 285.39 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)propylamino]methyl]-4-pyridin-3-ylphenol is sourced from PubChem (CID 45488914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).