methyl 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate

C14H20FNO3 — CID 115128471

IUPACmethyl 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N(C)Cc1cc(F)ccc1OC
InChIInChI=1S/C14H20FNO3/c1-14(2,13(17)19-5)16(3)9-10-8-11(15)6-7-12(10)18-4/h6-8H,9H2,1-5H3
InChIKeyHCGUTWRPRVBIRL-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.22
Rot. Bonds5

About methyl 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate

methyl 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate (PubChem CID 115128471) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is methyl 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate
PubChem CID115128471
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Namemethyl 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N(C)Cc1cc(F)ccc1OC
InChIInChI=1S/C14H20FNO3/c1-14(2,13(17)19-5)16(3)9-10-8-11(15)6-7-12(10)18-4/h6-8H,9H2,1-5H3
InChIKeyHCGUTWRPRVBIRL-UHFFFAOYSA-N
XLogP2.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate
CID 115128504
3-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 60988210
methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-methylpropanoate
CID 115128462
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194745
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128249
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 62637971
2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylacetamide
CID 110767187
2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 115128018
3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94687738
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]ethanethiol
CID 115224056
2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 115190235
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate (CID 115128471) is methyl 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate is COC(=O)C(C)(C)N(C)Cc1cc(F)ccc1OC.
What is the InChIKey of methyl 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate?
The InChIKey is HCGUTWRPRVBIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-14(2,13(17)19-5)16(3)9-10-8-11(15)6-7-12(10)18-4/h6-8H,9H2,1-5H3.
What are the key properties of methyl 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate?
methyl 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate has a molecular weight of 269.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoate is sourced from PubChem (CID 115128471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).