methyl 2-[(4-ethoxy-3-fluorophenyl)methylamino]-2-methylpropanoate

C14H20FNO3 — CID 115128433

IUPACmethyl 2-[(4-ethoxy-3-fluorophenyl)methylamino]-2-methylpropanoate
SMILESCCOc1ccc(CNC(C)(C)C(=O)OC)cc1F
InChIInChI=1S/C14H20FNO3/c1-5-19-12-7-6-10(8-11(12)15)9-16-14(2,3)13(17)18-4/h6-8,16H,5,9H2,1-4H3
InChIKeyJVWTVRUSGAPCLX-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.27
Rot. Bonds6

About methyl 2-[(4-ethoxy-3-fluorophenyl)methylamino]-2-methylpropanoate

methyl 2-[(4-ethoxy-3-fluorophenyl)methylamino]-2-methylpropanoate (PubChem CID 115128433) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is methyl 2-[(4-ethoxy-3-fluorophenyl)methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(4-ethoxy-3-fluorophenyl)methylamino]-2-methylpropanoate
PubChem CID115128433
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Namemethyl 2-[(4-ethoxy-3-fluorophenyl)methylamino]-2-methylpropanoate
SMILESCCOc1ccc(CNC(C)(C)C(=O)OC)cc1F
InChIInChI=1S/C14H20FNO3/c1-5-19-12-7-6-10(8-11(12)15)9-16-14(2,3)13(17)18-4/h6-8,16H,5,9H2,1-4H3
InChIKeyJVWTVRUSGAPCLX-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

2-cyano-N-[(4-ethoxy-3-fluorophenyl)methyl]-2-methylpropanamide
CID 115175104
1-[(4-ethoxy-3-fluorophenyl)methyl]-3-propylurea
CID 110775057
2-[(4-ethoxy-3-fluorophenyl)methylamino]acetamide
CID 115259899
methyl 2-[(3,4-dihydroxyphenyl)methylamino]-2-methylpropanoate
CID 43725940
1-(4-ethoxy-3-fluorophenyl)propan-2-one
CID 82491351
4-[(4-ethoxy-3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 98033360
2-amino-N-[(4-ethoxy-3-fluorophenyl)methyl]propanamide
CID 115152372
methyl 3-(4-ethoxy-3-fluoroanilino)-2-hydroxy-2-methylpropanoate
CID 104644996
1-[(4-ethoxy-3-fluorophenyl)methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111506012
(E)-4-[(4-ethoxy-3-fluorophenyl)methylamino]-4-oxobut-2-enoic acid
CID 115177207
4-[(4-ethoxy-3-fluorophenyl)methylamino]butanoic acid
CID 115218613
3-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-1,1,1-trifluoropropan-2-ol
CID 107688661

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-ethoxy-3-fluorophenyl)methylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(4-ethoxy-3-fluorophenyl)methylamino]-2-methylpropanoate (CID 115128433) is methyl 2-[(4-ethoxy-3-fluorophenyl)methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(4-ethoxy-3-fluorophenyl)methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(4-ethoxy-3-fluorophenyl)methylamino]-2-methylpropanoate is CCOc1ccc(CNC(C)(C)C(=O)OC)cc1F.
What is the InChIKey of methyl 2-[(4-ethoxy-3-fluorophenyl)methylamino]-2-methylpropanoate?
The InChIKey is JVWTVRUSGAPCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-5-19-12-7-6-10(8-11(12)15)9-16-14(2,3)13(17)18-4/h6-8,16H,5,9H2,1-4H3.
What are the key properties of methyl 2-[(4-ethoxy-3-fluorophenyl)methylamino]-2-methylpropanoate?
methyl 2-[(4-ethoxy-3-fluorophenyl)methylamino]-2-methylpropanoate has a molecular weight of 269.32 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-ethoxy-3-fluorophenyl)methylamino]-2-methylpropanoate is sourced from PubChem (CID 115128433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).