2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide

C16H17FN2O2 — CID 115952056

IUPAC2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2c(F)cccc2CN)cc1
InChIInChI=1S/C16H17FN2O2/c1-11-5-7-13(8-6-11)19-15(20)10-21-16-12(9-18)3-2-4-14(16)17/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyIIWHFZJSIZVQQI-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.61
Rot. Bonds5

About 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide

2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide (PubChem CID 115952056) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide
PubChem CID115952056
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2c(F)cccc2CN)cc1
InChIInChI=1S/C16H17FN2O2/c1-11-5-7-13(8-6-11)19-15(20)10-21-16-12(9-18)3-2-4-14(16)17/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyIIWHFZJSIZVQQI-UHFFFAOYSA-N
XLogP2.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide 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-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-bromophenyl)acetamide
CID 115952038
2-[2-(aminomethyl)-6-bromophenoxy]-N-(4-chlorophenyl)acetamide
CID 61389716
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(2-methoxyethyl)acetamide
CID 112608108
2-[2-(aminomethyl)-4-methylphenoxy]-N-(4-fluorophenyl)acetamide
CID 63322519
2-[2-(hydroxymethyl)-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 45371710
N-(4-aminophenyl)-2-(2-chloro-6-fluorophenoxy)acetamide
CID 83050973
2-(2,6-dimethylphenoxy)-N-(4-fluorophenyl)acetamide
CID 776559
2-[2-(aminomethyl)phenoxy]-N-(4-fluoro-3-methylphenyl)acetamide
CID 62808750
2-[2-(aminomethyl)-6-chlorophenoxy]-N-(3-fluorophenyl)acetamide
CID 115951922
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-[4-(2-fluoroanilino)phenyl]-2-(4-methylphenoxy)acetamide
CID 112986773
2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 112613129

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide (CID 115952056) is 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)COc2c(F)cccc2CN)cc1.
What is the InChIKey of 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide?
The InChIKey is IIWHFZJSIZVQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11-5-7-13(8-6-11)19-15(20)10-21-16-12(9-18)3-2-4-14(16)17/h2-8H,9-10,18H2,1H3,(H,19,20).
What are the key properties of 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide?
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide has a molecular weight of 288.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 115952056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).