2-[2-(aminomethyl)-4-methylphenoxy]-N-(4-fluorophenyl)acetamide

C16H17FN2O2 — CID 63322519

IUPAC2-[2-(aminomethyl)-4-methylphenoxy]-N-(4-fluorophenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(F)cc2)c(CN)c1
InChIInChI=1S/C16H17FN2O2/c1-11-2-7-15(12(8-11)9-18)21-10-16(20)19-14-5-3-13(17)4-6-14/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyHDVJZXYVNYBPOJ-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.61
Rot. Bonds5

About 2-[2-(aminomethyl)-4-methylphenoxy]-N-(4-fluorophenyl)acetamide

2-[2-(aminomethyl)-4-methylphenoxy]-N-(4-fluorophenyl)acetamide (PubChem CID 63322519) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylphenoxy]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylphenoxy]-N-(4-fluorophenyl)acetamide
PubChem CID63322519
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-[2-(aminomethyl)-4-methylphenoxy]-N-(4-fluorophenyl)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(F)cc2)c(CN)c1
InChIInChI=1S/C16H17FN2O2/c1-11-2-7-15(12(8-11)9-18)21-10-16(20)19-14-5-3-13(17)4-6-14/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyHDVJZXYVNYBPOJ-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-(2-tert-butyl-5-methylphenoxy)-N-(4-fluorophenyl)acetamide
CID 675188
2-(2-chloro-4-fluorophenoxy)-N-(4-methylphenyl)acetamide
CID 9402450
2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylphenyl)acetamide
CID 107694923
2-[2-(aminomethyl)-4-methylphenoxy]-N-(2-bromophenyl)acetamide
CID 63322380
2-[2-(aminomethyl)phenoxy]-N-(4-fluoro-3-methylphenyl)acetamide
CID 62808750
2-(2,4-difluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 580280
2-[2-(aminomethyl)-4-methylphenoxy]-N-propylacetamide
CID 63322563
2-[4-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 31857859
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-phenylacetamide
CID 107700615
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(4-methylphenyl)acetamide
CID 115952056
2-[5-(aminomethyl)-2-methylphenoxy]-N-(4-methylphenyl)acetamide
CID 107655851
2-(5-bromo-2-methylphenoxy)-N-(4-fluorophenyl)acetamide
CID 107284225

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylphenoxy]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylphenoxy]-N-(4-fluorophenyl)acetamide (CID 63322519) is 2-[2-(aminomethyl)-4-methylphenoxy]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylphenoxy]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylphenoxy]-N-(4-fluorophenyl)acetamide is Cc1ccc(OCC(=O)Nc2ccc(F)cc2)c(CN)c1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylphenoxy]-N-(4-fluorophenyl)acetamide?
The InChIKey is HDVJZXYVNYBPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11-2-7-15(12(8-11)9-18)21-10-16(20)19-14-5-3-13(17)4-6-14/h2-8H,9-10,18H2,1H3,(H,19,20).
What are the key properties of 2-[2-(aminomethyl)-4-methylphenoxy]-N-(4-fluorophenyl)acetamide?
2-[2-(aminomethyl)-4-methylphenoxy]-N-(4-fluorophenyl)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-methylphenoxy]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 63322519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).