methyl 3-(2-fluoro-4-methylanilino)propanoate

C11H14FNO2 — CID 43365435

IUPACmethyl 3-(2-fluoro-4-methylanilino)propanoate
SMILESCOC(=O)CCNc1ccc(C)cc1F
InChIInChI=1S/C11H14FNO2/c1-8-3-4-10(9(12)7-8)13-6-5-11(14)15-2/h3-4,7,13H,5-6H2,1-2H3
InChIKeyGZAHCHXIOZOQOM-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.11
Rot. Bonds4

About methyl 3-(2-fluoro-4-methylanilino)propanoate

methyl 3-(2-fluoro-4-methylanilino)propanoate (PubChem CID 43365435) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is methyl 3-(2-fluoro-4-methylanilino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-fluoro-4-methylanilino)propanoate
PubChem CID43365435
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Namemethyl 3-(2-fluoro-4-methylanilino)propanoate
SMILESCOC(=O)CCNc1ccc(C)cc1F
InChIInChI=1S/C11H14FNO2/c1-8-3-4-10(9(12)7-8)13-6-5-11(14)15-2/h3-4,7,13H,5-6H2,1-2H3
InChIKeyGZAHCHXIOZOQOM-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-(2-fluoro-4-methylanilino)propanoate 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

2-[(4-Methylphenyl)amino]acetic acid
CID 242236
Methyl 2-[3-(trifluoromethyl)anilino]acetate
CID 251270
3-acetamido-N-(4-fluoro-2-methylphenyl)propanamide
CID 2438691
(4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester
CID 302677
3-[(3,5-Dimethylphenyl)amino]propanoic acid
CID 2434842
3-[(2-Methylphenyl)amino]propanoic acid
CID 2435377
Propanoic acid, 3-((4-methylphenyl)amino)-3-oxo-, ethyl ester
CID 155874
(3-Trifluoromethyl-phenylamino)-acetic acid ethyl ester
CID 247832
N-Phenyl-beta-alanine methyl ester
CID 89103
Ethyl [(3-methylphenyl)amino]acetate
CID 302673
Methyl 2-methyl-2-[(4-methylphenyl)amino]propanoate
CID 60992031
3-acetamido-N-(3-fluoro-4-methylphenyl)propanamide
CID 2529616

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-fluoro-4-methylanilino)propanoate?
The IUPAC name of methyl 3-(2-fluoro-4-methylanilino)propanoate (CID 43365435) is methyl 3-(2-fluoro-4-methylanilino)propanoate.
What is the SMILES notation for methyl 3-(2-fluoro-4-methylanilino)propanoate?
The canonical SMILES for methyl 3-(2-fluoro-4-methylanilino)propanoate is COC(=O)CCNc1ccc(C)cc1F.
What is the InChIKey of methyl 3-(2-fluoro-4-methylanilino)propanoate?
The InChIKey is GZAHCHXIOZOQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-8-3-4-10(9(12)7-8)13-6-5-11(14)15-2/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of methyl 3-(2-fluoro-4-methylanilino)propanoate?
methyl 3-(2-fluoro-4-methylanilino)propanoate has a molecular weight of 211.24 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-fluoro-4-methylanilino)propanoate is sourced from PubChem (CID 43365435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).