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

C16H17FN2O2 — CID 107694923

IUPAC2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)COc1ccc(F)cc1CN
InChIInChI=1S/C16H17FN2O2/c1-11-4-2-3-5-14(11)19-16(20)10-21-15-7-6-13(17)8-12(15)9-18/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyUHTPWTWSWCUUIB-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.61
Rot. Bonds5

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

2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylphenyl)acetamide (PubChem CID 107694923) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylphenyl)acetamide
PubChem CID107694923
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)COc1ccc(F)cc1CN
InChIInChI=1S/C16H17FN2O2/c1-11-4-2-3-5-14(11)19-16(20)10-21-15-7-6-13(17)8-12(15)9-18/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyUHTPWTWSWCUUIB-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

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Related Compounds

2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 107698413
2-(2-amino-4-fluorophenoxy)-N-(2-methylphenyl)acetamide
CID 62368683
2-(2-acetamidophenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 2472167
N-(2-amino-4-fluorophenyl)-2-(2-methylphenoxy)acetamide
CID 16792862
2-[2-(aminomethyl)-4-methylphenoxy]-N-(2-bromophenyl)acetamide
CID 63322380
2-(4-amino-2-fluoro-5-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 114415878
2-[2-(aminomethyl)-4-methylphenoxy]-N-(4-fluorophenyl)acetamide
CID 63322519
2-(4-amino-2,5-difluorophenoxy)-N-(2-methylphenyl)acetamide
CID 63598465
2-[2-(5-fluoro-2-methylanilino)-2-oxoethoxy]benzamide
CID 18100358
2-[2-(aminomethyl)phenoxy]-N-(4-fluoro-3-methylphenyl)acetamide
CID 62808750
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-phenylacetamide
CID 107700615
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 170891318

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylphenyl)acetamide (CID 107694923) is 2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)COc1ccc(F)cc1CN.
What is the InChIKey of 2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylphenyl)acetamide?
The InChIKey is UHTPWTWSWCUUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11-4-2-3-5-14(11)19-16(20)10-21-15-7-6-13(17)8-12(15)9-18/h2-8H,9-10,18H2,1H3,(H,19,20).
What are the key properties of 2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylphenyl)acetamide?
2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-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)-4-fluorophenoxy]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 107694923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).