N-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride

C13H20ClFN2O2 — CID 119505851

IUPACN-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride
SMILESCCNCCNC(=O)CCOc1ccccc1F.Cl
InChIInChI=1S/C13H19FN2O2.ClH/c1-2-15-8-9-16-13(17)7-10-18-12-6-4-3-5-11(12)14;/h3-6,15H,2,7-10H2,1H3,(H,16,17);1H
InChIKeyOABISUGLUJVRHV-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.74
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride

N-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride (PubChem CID 119505851) has the molecular formula C13H20ClFN2O2 and a molecular weight of 290.77 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride
PubChem CID119505851
Molecular FormulaC13H20ClFN2O2
Molecular Weight290.77 g/mol
Exact Mass290.12
IUPAC NameN-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride
SMILESCCNCCNC(=O)CCOc1ccccc1F.Cl
InChIInChI=1S/C13H19FN2O2.ClH/c1-2-15-8-9-16-13(17)7-10-18-12-6-4-3-5-11(12)14;/h3-6,15H,2,7-10H2,1H3,(H,16,17);1H
InChIKeyOABISUGLUJVRHV-UHFFFAOYSA-N
XLogP1.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride 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

3-(2-fluorophenoxy)-N-propylpropanamide
CID 60637780
N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119382925
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43388959
N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride
CID 119506555
4-[3-(2-fluorophenoxy)propanoylamino]-2-methylbutanoic acid
CID 80538101
N-[(2R)-2-(ethylamino)propyl]-3-(2-fluorophenoxy)propanamide
CID 120650525
3-(2-fluorophenoxy)-N-(2-thiophen-2-ylethyl)propanamide
CID 78779605
3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 7927608
3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109845
3-(2-fluorophenoxy)-N-methoxypropanamide
CID 60717911
N-[2-(ethylamino)ethyl]-2-(2-fluorophenyl)acetamide;hydrochloride
CID 119260410
N-[2-(ethylamino)ethyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride
CID 119505213

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride (CID 119505851) is N-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride is CCNCCNC(=O)CCOc1ccccc1F.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride?
The InChIKey is OABISUGLUJVRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2.ClH/c1-2-15-8-9-16-13(17)7-10-18-12-6-4-3-5-11(12)14;/h3-6,15H,2,7-10H2,1H3,(H,16,17);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride?
N-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride has a molecular weight of 290.77 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119505851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).