2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-ethylpropanamide

C14H22N2O2 — CID 43122441

IUPAC2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1c(C)cc(CN)cc1C
InChIInChI=1S/C14H22N2O2/c1-5-16-14(17)11(4)18-13-9(2)6-12(8-15)7-10(13)3/h6-7,11H,5,8,15H2,1-4H3,(H,16,17)
InChIKeyXNNSIWQYOYNGTP-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.67
Rot. Bonds5

About 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-ethylpropanamide

2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-ethylpropanamide (PubChem CID 43122441) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-ethylpropanamide
PubChem CID43122441
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1c(C)cc(CN)cc1C
InChIInChI=1S/C14H22N2O2/c1-5-16-14(17)11(4)18-13-9(2)6-12(8-15)7-10(13)3/h6-7,11H,5,8,15H2,1-4H3,(H,16,17)
InChIKeyXNNSIWQYOYNGTP-UHFFFAOYSA-N
XLogP1.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-ethylpropanamide 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-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-pentylpropanamide
CID 43122445
2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylpropanamide
CID 60879224
2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-propylpropanamide
CID 43276703
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]ethyl]propanamide
CID 4961209
2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 43276640
(2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide
CID 28631725
2-[5-(aminomethyl)-2-methylphenoxy]-N-(ethylcarbamoyl)propanamide
CID 107655961
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(ethylcarbamoyl)propanamide
CID 103565959
2-[4-(hydroxymethyl)-2,6-dimethylphenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 43118005
2-[4-(aminomethyl)-2,6-dibromophenoxy]-N-pentan-3-ylpropanamide
CID 107741417
2-[4-(aminomethyl)-2-bromo-6-methoxyphenoxy]-N-butylpropanamide
CID 43622242
N-butyl-2-(4-cyano-2,6-dimethylphenoxy)propanamide
CID 65471896

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-ethylpropanamide?
The IUPAC name of 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-ethylpropanamide (CID 43122441) is 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-ethylpropanamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-ethylpropanamide?
The canonical SMILES for 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-ethylpropanamide is CCNC(=O)C(C)Oc1c(C)cc(CN)cc1C.
What is the InChIKey of 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-ethylpropanamide?
The InChIKey is XNNSIWQYOYNGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-16-14(17)11(4)18-13-9(2)6-12(8-15)7-10(13)3/h6-7,11H,5,8,15H2,1-4H3,(H,16,17).
What are the key properties of 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-ethylpropanamide?
2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-ethylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-ethylpropanamide is sourced from PubChem (CID 43122441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).