2-[3-(aminomethyl)phenoxy]-N-(2,3-dimethylphenyl)acetamide

C17H20N2O2 — CID 46741581

IUPAC2-[3-(aminomethyl)phenoxy]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2cccc(CN)c2)c1C
InChIInChI=1S/C17H20N2O2/c1-12-5-3-8-16(13(12)2)19-17(20)11-21-15-7-4-6-14(9-15)10-18/h3-9H,10-11,18H2,1-2H3,(H,19,20)
InChIKeyORDNAQHDQXKQGW-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.78
Rot. Bonds5

About 2-[3-(aminomethyl)phenoxy]-N-(2,3-dimethylphenyl)acetamide

2-[3-(aminomethyl)phenoxy]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 46741581) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenoxy]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenoxy]-N-(2,3-dimethylphenyl)acetamide
PubChem CID46741581
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[3-(aminomethyl)phenoxy]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)COc2cccc(CN)c2)c1C
InChIInChI=1S/C17H20N2O2/c1-12-5-3-8-16(13(12)2)19-17(20)11-21-15-7-4-6-14(9-15)10-18/h3-9H,10-11,18H2,1-2H3,(H,19,20)
InChIKeyORDNAQHDQXKQGW-UHFFFAOYSA-N
XLogP2.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[2-(2,3-dimethylanilino)-2-oxoethoxy]benzoate
CID 35986892
2-(3,5-dimethoxyphenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 99598387
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8915200
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792790
2-[3-(aminomethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 106485131
N-[3-(aminomethyl)phenyl]-2-(3-methylphenoxy)acetamide
CID 16783753
2-[3-(aminomethyl)phenoxy]-N-(4-chloro-2-fluorophenyl)acetamide
CID 106485201
2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 7858908
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853946
2-[3-(aminomethyl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 106485075
2-(2-acetamidophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 2566695
2-[3-(aminomethyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 46741579

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-(2,3-dimethylphenyl)acetamide (CID 46741581) is 2-[3-(aminomethyl)phenoxy]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)phenoxy]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)phenoxy]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)COc2cccc(CN)c2)c1C.
What is the InChIKey of 2-[3-(aminomethyl)phenoxy]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is ORDNAQHDQXKQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-5-3-8-16(13(12)2)19-17(20)11-21-15-7-4-6-14(9-15)10-18/h3-9H,10-11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-[3-(aminomethyl)phenoxy]-N-(2,3-dimethylphenyl)acetamide?
2-[3-(aminomethyl)phenoxy]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenoxy]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 46741581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).