2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylacetamide

C16H25FN2O2 — CID 111462207

IUPAC2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylacetamide
SMILESCC(C)CN(CC(=O)N(C)C)CC(O)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O2/c1-12(2)9-19(11-16(21)18(3)4)10-15(20)13-5-7-14(17)8-6-13/h5-8,12,15,20H,9-11H2,1-4H3
InChIKeyLRTFPHWTCAMDOL-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.91
Rot. Bonds7

About 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylacetamide

2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylacetamide (PubChem CID 111462207) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylacetamide
PubChem CID111462207
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylacetamide
SMILESCC(C)CN(CC(=O)N(C)C)CC(O)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2O2/c1-12(2)9-19(11-16(21)18(3)4)10-15(20)13-5-7-14(17)8-6-13/h5-8,12,15,20H,9-11H2,1-4H3
InChIKeyLRTFPHWTCAMDOL-UHFFFAOYSA-N
XLogP1.91
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]acetamide
CID 111462190
2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-propylamino]-N,N-dimethylacetamide
CID 111564982
4-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-(2-methylpropyl)pentanamide;hydrochloride
CID 120562857
1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol
CID 111107929
1-(4-fluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl-(2-methylpropyl)amino]ethanol
CID 111462210
2-[bis(2-methylpropyl)amino]-1-(3,4-difluorophenyl)ethanol
CID 82217067
1-(4-fluorophenyl)-2-[2-methylpropyl-[(3-methylpyrrolidin-3-yl)methyl]amino]ethanol
CID 120900668
3-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(3-methylbutyl)amino]propanenitrile
CID 111496675
2-[ethyl(2-methylpropyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 54949371
2-[(5-chlorothiadiazol-4-yl)methyl-(2-methylpropyl)amino]-1-(4-fluorophenyl)ethanol
CID 111432053
1-(4-fluorophenyl)-3-methylbutan-1-ol
CID 60797473
methyl 2-[cyanomethyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]acetate
CID 111757432

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylacetamide (CID 111462207) is 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylacetamide is CC(C)CN(CC(=O)N(C)C)CC(O)c1ccc(F)cc1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylacetamide?
The InChIKey is LRTFPHWTCAMDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-12(2)9-19(11-16(21)18(3)4)10-15(20)13-5-7-14(17)8-6-13/h5-8,12,15,20H,9-11H2,1-4H3.
What are the key properties of 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylacetamide?
2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylacetamide has a molecular weight of 296.39 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111462207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).