1-(dimethylamino)-3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol

C11H18FN3O — CID 103837833

IUPAC1-(dimethylamino)-3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNc1ncccc1F
InChIInChI=1S/C11H18FN3O/c1-11(16,8-15(2)3)7-14-10-9(12)5-4-6-13-10/h4-6,16H,7-8H2,1-3H3,(H,13,14)
InChIKeyCVKXMOZCOZGRAJ-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.95
Rot. Bonds5

About 1-(dimethylamino)-3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol

1-(dimethylamino)-3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol (PubChem CID 103837833) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol
PubChem CID103837833
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name1-(dimethylamino)-3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNc1ncccc1F
InChIInChI=1S/C11H18FN3O/c1-11(16,8-15(2)3)7-14-10-9(12)5-4-6-13-10/h4-6,16H,7-8H2,1-3H3,(H,13,14)
InChIKeyCVKXMOZCOZGRAJ-UHFFFAOYSA-N
XLogP0.95
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(dimethylamino)-3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol 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

1-[(3-fluoro-2-pyridinyl)amino]-2-methyl-3-morpholin-4-ylpropan-2-ol
CID 75430513
3-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyrazine-2-carbonitrile
CID 113320120
2-[(3-fluoro-2-pyridinyl)amino]-N,N-dimethylacetamide
CID 62734537
1-(dimethylamino)-2-methyl-3-(pyrimidin-2-ylmethylamino)propan-2-ol
CID 106147433
3-amino-2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridine-4-carbonitrile
CID 106141918
3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617514
1-(dimethylamino)-2-methyl-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 106145464
3-[(3-fluoro-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 130892998
1-[(3-amino-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 65103157
1-(dimethylamino)-2-methyl-3-(1-pyridin-2-ylethylamino)propan-2-ol
CID 103904295
1-(dimethylamino)-2-methyl-3-(2,3,4,5,6-pentafluoroanilino)propan-2-ol
CID 106145626
1-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106150117

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol (CID 103837833) is 1-(dimethylamino)-3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol is CN(C)CC(C)(O)CNc1ncccc1F.
What is the InChIKey of 1-(dimethylamino)-3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol?
The InChIKey is CVKXMOZCOZGRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O/c1-11(16,8-15(2)3)7-14-10-9(12)5-4-6-13-10/h4-6,16H,7-8H2,1-3H3,(H,13,14).
What are the key properties of 1-(dimethylamino)-3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol?
1-(dimethylamino)-3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol has a molecular weight of 227.28 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[(3-fluoro-2-pyridinyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 103837833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).