ethyl 4-(3-fluorophenoxy)-2-methyl-2-(methylamino)pentanoate

C15H22FNO3 — CID 64706858

IUPACethyl 4-(3-fluorophenoxy)-2-methyl-2-(methylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)Oc1cccc(F)c1)NC
InChIInChI=1S/C15H22FNO3/c1-5-19-14(18)15(3,17-4)10-11(2)20-13-8-6-7-12(16)9-13/h6-9,11,17H,5,10H2,1-4H3
InChIKeyVQKXWAAYWSFGOU-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.52
Rot. Bonds7

About ethyl 4-(3-fluorophenoxy)-2-methyl-2-(methylamino)pentanoate

ethyl 4-(3-fluorophenoxy)-2-methyl-2-(methylamino)pentanoate (PubChem CID 64706858) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is ethyl 4-(3-fluorophenoxy)-2-methyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Nameethyl 4-(3-fluorophenoxy)-2-methyl-2-(methylamino)pentanoate
PubChem CID64706858
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Nameethyl 4-(3-fluorophenoxy)-2-methyl-2-(methylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)Oc1cccc(F)c1)NC
InChIInChI=1S/C15H22FNO3/c1-5-19-14(18)15(3,17-4)10-11(2)20-13-8-6-7-12(16)9-13/h6-9,11,17H,5,10H2,1-4H3
InChIKeyVQKXWAAYWSFGOU-UHFFFAOYSA-N
XLogP2.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanoate
CID 102983589
ethyl 4-(2-fluoro-3-methylphenoxy)-2-methyl-2-(methylamino)pentanoate
CID 107660538
ethyl 4-(2-fluoro-5-methylphenoxy)-2-methyl-2-(methylamino)pentanoate
CID 64855069
4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanamide
CID 64719136
4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 64718695
ethyl 2-(3-fluorophenoxy)-2-methylpropanoate
CID 58243746
ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate
CID 64706802
4-(3-ethylphenoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 64706563
ethyl 2-(3-fluoroanilino)-2-methylpentanoate
CID 54890603
ethyl 2-fluoro-2-(3-fluorophenoxy)acetate
CID 79356645
4-[3-(dimethylamino)phenoxy]-2-methyl-2-(methylamino)pentanoic acid
CID 64708993
methyl 2-[2-(3-fluorophenoxy)propanoylamino]-2-methylpentanoate
CID 78869482

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-fluorophenoxy)-2-methyl-2-(methylamino)pentanoate?
The IUPAC name of ethyl 4-(3-fluorophenoxy)-2-methyl-2-(methylamino)pentanoate (CID 64706858) is ethyl 4-(3-fluorophenoxy)-2-methyl-2-(methylamino)pentanoate.
What is the SMILES notation for ethyl 4-(3-fluorophenoxy)-2-methyl-2-(methylamino)pentanoate?
The canonical SMILES for ethyl 4-(3-fluorophenoxy)-2-methyl-2-(methylamino)pentanoate is CCOC(=O)C(C)(CC(C)Oc1cccc(F)c1)NC.
What is the InChIKey of ethyl 4-(3-fluorophenoxy)-2-methyl-2-(methylamino)pentanoate?
The InChIKey is VQKXWAAYWSFGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-5-19-14(18)15(3,17-4)10-11(2)20-13-8-6-7-12(16)9-13/h6-9,11,17H,5,10H2,1-4H3.
What are the key properties of ethyl 4-(3-fluorophenoxy)-2-methyl-2-(methylamino)pentanoate?
ethyl 4-(3-fluorophenoxy)-2-methyl-2-(methylamino)pentanoate has a molecular weight of 283.34 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-fluorophenoxy)-2-methyl-2-(methylamino)pentanoate is sourced from PubChem (CID 64706858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).