N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyethoxy)ethanamine

C13H20FNO2 — CID 62120248

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyethoxy)ethanamine
SMILESCOCCOCCNCc1ccc(F)c(C)c1
InChIInChI=1S/C13H20FNO2/c1-11-9-12(3-4-13(11)14)10-15-5-6-17-8-7-16-2/h3-4,9,15H,5-8,10H2,1-2H3
InChIKeyVOUKOUPYBZFPOQ-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.89
Rot. Bonds8

About N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyethoxy)ethanamine

N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyethoxy)ethanamine (PubChem CID 62120248) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyethoxy)ethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyethoxy)ethanamine
PubChem CID62120248
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyethoxy)ethanamine
SMILESCOCCOCCNCc1ccc(F)c(C)c1
InChIInChI=1S/C13H20FNO2/c1-11-9-12(3-4-13(11)14)10-15-5-6-17-8-7-16-2/h3-4,9,15H,5-8,10H2,1-2H3
InChIKeyVOUKOUPYBZFPOQ-UHFFFAOYSA-N
XLogP1.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyethoxy)ethanamine 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

N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxypentan-1-amine
CID 113232261
2-[2-(2-methoxyethoxy)ethoxy]-N-[(4-methylphenyl)methyl]ethanamine
CID 104561561
N-[(4-fluoro-3-methylphenyl)methyl]-2-methylsulfanylethanamine
CID 63378460
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(3-methoxypropoxy)ethanamine
CID 103179199
N-ethyl-2-[2-(4-fluoro-3-methylphenyl)ethoxy]ethanamine
CID 79736426
2-[2-[(3-fluoro-4-methylphenyl)methylamino]ethoxy]ethanol
CID 63646363
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
3,3,3-trifluoro-N-[(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63226166
N-[(3-fluoro-4-methylphenyl)methyl]-5-methoxypentan-1-amine
CID 103654079
5-[(4-fluoro-3-methylphenyl)methylamino]pentan-2-one
CID 115236437
1-(4-fluoro-3-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 62121979
N'-[(3-bromo-4-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 107951104

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyethoxy)ethanamine?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyethoxy)ethanamine (CID 62120248) is N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyethoxy)ethanamine.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyethoxy)ethanamine?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyethoxy)ethanamine is COCCOCCNCc1ccc(F)c(C)c1.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyethoxy)ethanamine?
The InChIKey is VOUKOUPYBZFPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-11-9-12(3-4-13(11)14)10-15-5-6-17-8-7-16-2/h3-4,9,15H,5-8,10H2,1-2H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyethoxy)ethanamine?
N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyethoxy)ethanamine has a molecular weight of 241.31 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-2-(2-methoxyethoxy)ethanamine is sourced from PubChem (CID 62120248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).