methyl 2-[[ethyl(methyl)amino]methyl]-5-fluorobenzoate

C12H16FNO2 — CID 71933426

IUPACmethyl 2-[[ethyl(methyl)amino]methyl]-5-fluorobenzoate
SMILESCCN(C)Cc1ccc(F)cc1C(=O)OC
InChIInChI=1S/C12H16FNO2/c1-4-14(2)8-9-5-6-10(13)7-11(9)12(15)16-3/h5-7H,4,8H2,1-3H3
InChIKeyWASKSPRYBGJORN-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.06
Rot. Bonds4

About methyl 2-[[ethyl(methyl)amino]methyl]-5-fluorobenzoate

methyl 2-[[ethyl(methyl)amino]methyl]-5-fluorobenzoate (PubChem CID 71933426) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is methyl 2-[[ethyl(methyl)amino]methyl]-5-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-[[ethyl(methyl)amino]methyl]-5-fluorobenzoate
PubChem CID71933426
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Namemethyl 2-[[ethyl(methyl)amino]methyl]-5-fluorobenzoate
SMILESCCN(C)Cc1ccc(F)cc1C(=O)OC
InChIInChI=1S/C12H16FNO2/c1-4-14(2)8-9-5-6-10(13)7-11(9)12(15)16-3/h5-7H,4,8H2,1-3H3
InChIKeyWASKSPRYBGJORN-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[ethyl(methyl)amino]methyl]-5-fluorobenzoate?
The IUPAC name of methyl 2-[[ethyl(methyl)amino]methyl]-5-fluorobenzoate (CID 71933426) is methyl 2-[[ethyl(methyl)amino]methyl]-5-fluorobenzoate.
What is the SMILES notation for methyl 2-[[ethyl(methyl)amino]methyl]-5-fluorobenzoate?
The canonical SMILES for methyl 2-[[ethyl(methyl)amino]methyl]-5-fluorobenzoate is CCN(C)Cc1ccc(F)cc1C(=O)OC.
What is the InChIKey of methyl 2-[[ethyl(methyl)amino]methyl]-5-fluorobenzoate?
The InChIKey is WASKSPRYBGJORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-4-14(2)8-9-5-6-10(13)7-11(9)12(15)16-3/h5-7H,4,8H2,1-3H3.
What are the key properties of methyl 2-[[ethyl(methyl)amino]methyl]-5-fluorobenzoate?
methyl 2-[[ethyl(methyl)amino]methyl]-5-fluorobenzoate has a molecular weight of 225.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[ethyl(methyl)amino]methyl]-5-fluorobenzoate is sourced from PubChem (CID 71933426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).