1-(4-fluorophenyl)-2-[2-methylpropyl-(5-methylpyrimidin-2-yl)amino]ethanol

C17H22FN3O — CID 133411082

IUPAC1-(4-fluorophenyl)-2-[2-methylpropyl-(5-methylpyrimidin-2-yl)amino]ethanol
SMILESCc1cnc(N(CC(C)C)CC(O)c2ccc(F)cc2)nc1
InChIInChI=1S/C17H22FN3O/c1-12(2)10-21(17-19-8-13(3)9-20-17)11-16(22)14-4-6-15(18)7-5-14/h4-9,12,16,22H,10-11H2,1-3H3
InChIKeyPFJZOKQBFASKIN-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.12
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[2-methylpropyl-(5-methylpyrimidin-2-yl)amino]ethanol

1-(4-fluorophenyl)-2-[2-methylpropyl-(5-methylpyrimidin-2-yl)amino]ethanol (PubChem CID 133411082) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[2-methylpropyl-(5-methylpyrimidin-2-yl)amino]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[2-methylpropyl-(5-methylpyrimidin-2-yl)amino]ethanol
PubChem CID133411082
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name1-(4-fluorophenyl)-2-[2-methylpropyl-(5-methylpyrimidin-2-yl)amino]ethanol
SMILESCc1cnc(N(CC(C)C)CC(O)c2ccc(F)cc2)nc1
InChIInChI=1S/C17H22FN3O/c1-12(2)10-21(17-19-8-13(3)9-20-17)11-16(22)14-4-6-15(18)7-5-14/h4-9,12,16,22H,10-11H2,1-3H3
InChIKeyPFJZOKQBFASKIN-UHFFFAOYSA-N
XLogP3.12
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-2-[2-methylpropyl-(5-methylpyrimidin-2-yl)amino]ethanol 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

5-chloro-6-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 138995826
1-(4-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]ethanol
CID 111462210
2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylacetamide
CID 111462207
1-(4-fluorophenyl)-3-methylbutan-1-ol
CID 60797473
1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol
CID 111107929
1-(4-fluorophenyl)-2-trimethylsilylethanol
CID 118997274
N,5-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 130679981
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,4-dimethyl-N-(2-methylpropyl)-1,3-oxazole-5-carboxamide
CID 71968911
2-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]-1-(4-fluorophenyl)ethanol
CID 111432053
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 97082451
N-tert-butyl-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]acetamide
CID 111462190
3-ethyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 138995809

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[2-methylpropyl-(5-methylpyrimidin-2-yl)amino]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[2-methylpropyl-(5-methylpyrimidin-2-yl)amino]ethanol (CID 133411082) is 1-(4-fluorophenyl)-2-[2-methylpropyl-(5-methylpyrimidin-2-yl)amino]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[2-methylpropyl-(5-methylpyrimidin-2-yl)amino]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[2-methylpropyl-(5-methylpyrimidin-2-yl)amino]ethanol is Cc1cnc(N(CC(C)C)CC(O)c2ccc(F)cc2)nc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[2-methylpropyl-(5-methylpyrimidin-2-yl)amino]ethanol?
The InChIKey is PFJZOKQBFASKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-12(2)10-21(17-19-8-13(3)9-20-17)11-16(22)14-4-6-15(18)7-5-14/h4-9,12,16,22H,10-11H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-2-[2-methylpropyl-(5-methylpyrimidin-2-yl)amino]ethanol?
1-(4-fluorophenyl)-2-[2-methylpropyl-(5-methylpyrimidin-2-yl)amino]ethanol has a molecular weight of 303.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[2-methylpropyl-(5-methylpyrimidin-2-yl)amino]ethanol is sourced from PubChem (CID 133411082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).