N-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide

C16H18N2O2 — CID 16783753

IUPACN-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2cccc(CN)c2)c1
InChIInChI=1S/C16H18N2O2/c1-12-4-2-7-15(8-12)20-11-16(19)18-14-6-3-5-13(9-14)10-17/h2-9H,10-11,17H2,1H3,(H,18,19)
InChIKeyOPWHVMRCFPPBEK-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.47
Rot. Bonds5

About N-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide

N-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide (PubChem CID 16783753) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide
PubChem CID16783753
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2cccc(CN)c2)c1
InChIInChI=1S/C16H18N2O2/c1-12-4-2-7-15(8-12)20-11-16(19)18-14-6-3-5-13(9-14)10-17/h2-9H,10-11,17H2,1H3,(H,18,19)
InChIKeyOPWHVMRCFPPBEK-UHFFFAOYSA-N
XLogP2.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)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-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
N-[3-(aminomethyl)phenyl]-2-phenoxyacetamide
CID 16781265
N-[3-(aminomethyl)phenyl]-2-(3-fluorophenoxy)acetamide
CID 16784462
N-(3-aminophenyl)-2-(3-methylphenoxy)acetamide
CID 16789843
N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 883065
2-[4-(aminomethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 16795321
N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide
CID 17094750
N-[[3-(hydroxymethyl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 920459
2-[3-(aminomethyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 46741579
N-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)acetamide
CID 60629869
2-[4-(hydroxymethyl)phenoxy]-N-(3-methylphenyl)acetamide
CID 28561560
2-(3-methylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 675979

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide (CID 16783753) is N-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2cccc(CN)c2)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is OPWHVMRCFPPBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-4-2-7-15(8-12)20-11-16(19)18-14-6-3-5-13(9-14)10-17/h2-9H,10-11,17H2,1H3,(H,18,19).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide?
N-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 270.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 16783753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).