methyl 2-[3-fluoro-5-(methylaminomethyl)phenyl]acetate

C11H14FNO2 — CID 162750314

IUPACmethyl 2-[3-fluoro-5-(methylaminomethyl)phenyl]acetate
SMILESCNCc1cc(F)cc(CC(=O)OC)c1
InChIInChI=1S/C11H14FNO2/c1-13-7-9-3-8(4-10(12)5-9)6-11(14)15-2/h3-5,13H,6-7H2,1-2H3
InChIKeyTXBWJAILRCZASS-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.26
Rot. Bonds4

About methyl 2-[3-fluoro-5-(methylaminomethyl)phenyl]acetate

methyl 2-[3-fluoro-5-(methylaminomethyl)phenyl]acetate (PubChem CID 162750314) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is methyl 2-[3-fluoro-5-(methylaminomethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-fluoro-5-(methylaminomethyl)phenyl]acetate
PubChem CID162750314
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Namemethyl 2-[3-fluoro-5-(methylaminomethyl)phenyl]acetate
SMILESCNCc1cc(F)cc(CC(=O)OC)c1
InChIInChI=1S/C11H14FNO2/c1-13-7-9-3-8(4-10(12)5-9)6-11(14)15-2/h3-5,13H,6-7H2,1-2H3
InChIKeyTXBWJAILRCZASS-UHFFFAOYSA-N
XLogP1.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[3-fluoro-5-(methylaminomethyl)phenyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[3-(bromomethyl)-5-fluorophenyl]acetate
CID 99769923
methyl 2-[4-(methylaminomethyl)phenyl]acetate
CID 23594251
methyl 2-[3,5-bis(bromomethyl)phenyl]acetate
CID 89250496
methyl 2-(2,4,6-trifluorophenyl)acetate
CID 66608247
methyl 2-[3-fluoro-5-[4-(3-methylpentan-3-yl)phenyl]phenyl]acetate
CID 143365893
methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate
CID 107686567
methyl 2-(5-fluorothiophen-3-yl)acetate
CID 130787023
methyl 2-(3-bromo-4-cyano-5-fluorophenyl)acetate
CID 131402010
1-[3,5-bis(methylaminomethyl)phenyl]ethanone
CID 176977307
methyl 2-[2,6-dimethoxy-4-(methylaminomethyl)phenoxy]acetate
CID 60889256
methyl 2-(3,5-dichloro-4-methylphenyl)acetate
CID 121228410
methyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate
CID 22491961

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-fluoro-5-(methylaminomethyl)phenyl]acetate?
The IUPAC name of methyl 2-[3-fluoro-5-(methylaminomethyl)phenyl]acetate (CID 162750314) is methyl 2-[3-fluoro-5-(methylaminomethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[3-fluoro-5-(methylaminomethyl)phenyl]acetate?
The canonical SMILES for methyl 2-[3-fluoro-5-(methylaminomethyl)phenyl]acetate is CNCc1cc(F)cc(CC(=O)OC)c1.
What is the InChIKey of methyl 2-[3-fluoro-5-(methylaminomethyl)phenyl]acetate?
The InChIKey is TXBWJAILRCZASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-13-7-9-3-8(4-10(12)5-9)6-11(14)15-2/h3-5,13H,6-7H2,1-2H3.
What are the key properties of methyl 2-[3-fluoro-5-(methylaminomethyl)phenyl]acetate?
methyl 2-[3-fluoro-5-(methylaminomethyl)phenyl]acetate has a molecular weight of 211.24 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-fluoro-5-(methylaminomethyl)phenyl]acetate is sourced from PubChem (CID 162750314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).