2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-propylamino]-N,N-dimethylacetamide

C16H25FN2O2 — CID 111564982

IUPAC2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)CC(O)c1ccc(F)cc1C
InChIInChI=1S/C16H25FN2O2/c1-5-8-19(11-16(21)18(3)4)10-15(20)14-7-6-13(17)9-12(14)2/h6-7,9,15,20H,5,8,10-11H2,1-4H3
InChIKeyKLIBQWPVPQUMCF-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.97
Rot. Bonds7

About 2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-propylamino]-N,N-dimethylacetamide

2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-propylamino]-N,N-dimethylacetamide (PubChem CID 111564982) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-propylamino]-N,N-dimethylacetamide
PubChem CID111564982
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)CC(O)c1ccc(F)cc1C
InChIInChI=1S/C16H25FN2O2/c1-5-8-19(11-16(21)18(3)4)10-15(20)14-7-6-13(17)9-12(14)2/h6-7,9,15,20H,5,8,10-11H2,1-4H3
InChIKeyKLIBQWPVPQUMCF-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]acetamide
CID 111564959
3-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-(2-hydroxyethyl)amino]propan-1-ol
CID 111565095
3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79086972
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-(2-methylpropyl)amino]-N,N-dimethylacetamide
CID 111462207
3-(dimethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115345951
2-[(2-cyano-5-fluorophenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 103760678
N-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide
CID 111564900
2-[butyl-[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]acetamide
CID 110898529
4-fluoro-N-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylbenzenesulfonamide
CID 109411515
1-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]-2-methylpropan-2-ol
CID 111565148
1-(4-fluoro-2-methylphenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanol
CID 111565172

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-propylamino]-N,N-dimethylacetamide (CID 111564982) is 2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)CC(O)c1ccc(F)cc1C.
What is the InChIKey of 2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-propylamino]-N,N-dimethylacetamide?
The InChIKey is KLIBQWPVPQUMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-5-8-19(11-16(21)18(3)4)10-15(20)14-7-6-13(17)9-12(14)2/h6-7,9,15,20H,5,8,10-11H2,1-4H3.
What are the key properties of 2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-propylamino]-N,N-dimethylacetamide?
2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-propylamino]-N,N-dimethylacetamide has a molecular weight of 296.39 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 111564982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).