ethyl 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanoate

C16H24FNO3 — CID 102983589

IUPACethyl 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)Oc1cc(F)ccc1C)NC
InChIInChI=1S/C16H24FNO3/c1-6-20-15(19)16(4,18-5)10-12(3)21-14-9-13(17)8-7-11(14)2/h7-9,12,18H,6,10H2,1-5H3
InChIKeyZHNHTOJCFSLBTC-UHFFFAOYSA-N
MW297.37 g/mol
LogP2.83
Rot. Bonds7

About ethyl 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanoate

ethyl 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanoate (PubChem CID 102983589) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is ethyl 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Nameethyl 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanoate
PubChem CID102983589
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Nameethyl 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)Oc1cc(F)ccc1C)NC
InChIInChI=1S/C16H24FNO3/c1-6-20-15(19)16(4,18-5)10-12(3)21-14-9-13(17)8-7-11(14)2/h7-9,12,18H,6,10H2,1-5H3
InChIKeyZHNHTOJCFSLBTC-UHFFFAOYSA-N
XLogP2.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2-fluoro-3-methylphenoxy)-2-methyl-2-(methylamino)pentanoate
CID 107660538
ethyl 4-(3-fluorophenoxy)-2-methyl-2-(methylamino)pentanoate
CID 64706858
ethyl 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(methylamino)pentanoate
CID 64855069
4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanenitrile
CID 102983463
2-methyl-2-(methylamino)-4-(2-methylphenoxy)pentanoic acid
CID 64706223
ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate
CID 64706802
methyl 2-methyl-2-(methylamino)-4-(2,3,5-trimethylphenoxy)pentanoate
CID 64707715
methyl 4-(2,5-dimethylphenoxy)-2-(ethylamino)-2-methylpentanoate
CID 64706636
2-(5-fluoro-2-methylphenoxy)-N-methylpropan-1-amine
CID 102986348
ethyl 4-(3,4-dimethylphenyl)sulfanyl-2-methyl-2-(methylamino)pentanoate
CID 64709541
methyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate
CID 103338283
N-ethyl-2-(5-fluoro-2-methylphenoxy)propanamide
CID 102990501

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanoate?
The IUPAC name of ethyl 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanoate (CID 102983589) is ethyl 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for ethyl 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanoate?
The canonical SMILES for ethyl 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanoate is CCOC(=O)C(C)(CC(C)Oc1cc(F)ccc1C)NC.
What is the InChIKey of ethyl 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanoate?
The InChIKey is ZHNHTOJCFSLBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-6-20-15(19)16(4,18-5)10-12(3)21-14-9-13(17)8-7-11(14)2/h7-9,12,18H,6,10H2,1-5H3.
What are the key properties of ethyl 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanoate?
ethyl 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanoate has a molecular weight of 297.37 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 102983589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).