methyl 2-[4-(methylaminomethyl)phenyl]acetate

C11H15NO2 — CID 23594251

IUPACmethyl 2-[4-(methylaminomethyl)phenyl]acetate
SMILESCNCc1ccc(CC(=O)OC)cc1
InChIInChI=1S/C11H15NO2/c1-12-8-10-5-3-9(4-6-10)7-11(13)14-2/h3-6,12H,7-8H2,1-2H3
InChIKeyYRSCFEHOLIGJNO-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.12
Rot. Bonds4

About methyl 2-[4-(methylaminomethyl)phenyl]acetate

methyl 2-[4-(methylaminomethyl)phenyl]acetate (PubChem CID 23594251) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 2-[4-(methylaminomethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(methylaminomethyl)phenyl]acetate
PubChem CID23594251
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 2-[4-(methylaminomethyl)phenyl]acetate
SMILESCNCc1ccc(CC(=O)OC)cc1
InChIInChI=1S/C11H15NO2/c1-12-8-10-5-3-9(4-6-10)7-11(13)14-2/h3-6,12H,7-8H2,1-2H3
InChIKeyYRSCFEHOLIGJNO-UHFFFAOYSA-N
XLogP1.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[4-(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-[4-[(propan-2-ylamino)methyl]phenyl]acetate
CID 143449158
methyl 2-[3-fluoro-5-(methylaminomethyl)phenyl]acetate
CID 162750314
methyl 2-[4-(methylaminomethyl)phenyl]sulfanylacetate
CID 63809087
sodium 4-(2-methoxy-2-oxoethyl)phenolate
CID 70152543
methyl 2-(4-aminophenyl)acetate;hydrochloride
CID 12918864
CID 172801156
CID 172801156
methyl 2-[4-(tritiomethyl)phenyl]acetate
CID 140891676
methyl 2-[4-(4-ethylphenyl)phenyl]acetate
CID 20610301
methyl 2-[4-(2-methylpropyl)phenyl]acetate
CID 10987436
methyl 2-[4-(4-hydroxyphenyl)phenyl]acetate
CID 86088038
methyl 2-(4-methylsulfanylphenyl)acetate
CID 12067662
methyl 2-[4-(cyanomethylamino)phenyl]acetate
CID 121256144

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(methylaminomethyl)phenyl]acetate?
The IUPAC name of methyl 2-[4-(methylaminomethyl)phenyl]acetate (CID 23594251) is methyl 2-[4-(methylaminomethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(methylaminomethyl)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(methylaminomethyl)phenyl]acetate is CNCc1ccc(CC(=O)OC)cc1.
What is the InChIKey of methyl 2-[4-(methylaminomethyl)phenyl]acetate?
The InChIKey is YRSCFEHOLIGJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-12-8-10-5-3-9(4-6-10)7-11(13)14-2/h3-6,12H,7-8H2,1-2H3.
What are the key properties of methyl 2-[4-(methylaminomethyl)phenyl]acetate?
methyl 2-[4-(methylaminomethyl)phenyl]acetate has a molecular weight of 193.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(methylaminomethyl)phenyl]acetate is sourced from PubChem (CID 23594251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).