methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate

C14H20FNO3 — CID 112610729

IUPACmethyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate
SMILESCOC(=O)COc1c(F)cccc1CNC(C)(C)C
InChIInChI=1S/C14H20FNO3/c1-14(2,3)16-8-10-6-5-7-11(15)13(10)19-9-12(17)18-4/h5-7,16H,8-9H2,1-4H3
InChIKeyYGPDQJCGMWVJSP-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.27
Rot. Bonds5

About methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate

methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate (PubChem CID 112610729) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate
PubChem CID112610729
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Namemethyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate
SMILESCOC(=O)COc1c(F)cccc1CNC(C)(C)C
InChIInChI=1S/C14H20FNO3/c1-14(2,3)16-8-10-6-5-7-11(15)13(10)19-9-12(17)18-4/h5-7,16H,8-9H2,1-4H3
InChIKeyYGPDQJCGMWVJSP-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
CID 112610174
methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate
CID 112609552
methyl 2-[2-[(tert-butylamino)methyl]-6-methoxyphenoxy]acetate
CID 63057770
N-[[3-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 112610713
1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol
CID 112610710
N-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine
CID 164935784
4-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]-N-methylbutanamide
CID 115955151
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 112610717
propan-2-yl 2-[2-[(tert-butylamino)methyl]-6-methylphenoxy]acetate
CID 115954250
2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]butanamide
CID 115955247
methyl 4-[2-fluoro-6-(methylaminomethyl)phenoxy]butanoate
CID 112608740
N-[[3-fluoro-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115955206

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate?
The IUPAC name of methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate (CID 112610729) is methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate.
What is the SMILES notation for methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate?
The canonical SMILES for methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate is COC(=O)COc1c(F)cccc1CNC(C)(C)C.
What is the InChIKey of methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate?
The InChIKey is YGPDQJCGMWVJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-14(2,3)16-8-10-6-5-7-11(15)13(10)19-9-12(17)18-4/h5-7,16H,8-9H2,1-4H3.
What are the key properties of methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate?
methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate has a molecular weight of 269.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]acetate is sourced from PubChem (CID 112610729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).