N-ethyl-2-(2-prop-2-enoxyphenoxy)ethanamine;hydrochloride

C13H20ClNO2 — CID 6458959

IUPACN-ethyl-2-(2-prop-2-enoxyphenoxy)ethanamine;hydrochloride
SMILESC=CCOc1ccccc1OCCNCC.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-3-10-15-12-7-5-6-8-13(12)16-11-9-14-4-2;/h3,5-8,14H,1,4,9-11H2,2H3;1H
InChIKeyLJQBYDNMWRZRDJ-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.66
Rot. Bonds8

About N-ethyl-2-(2-prop-2-enoxyphenoxy)ethanamine;hydrochloride

N-ethyl-2-(2-prop-2-enoxyphenoxy)ethanamine;hydrochloride (PubChem CID 6458959) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is N-ethyl-2-(2-prop-2-enoxyphenoxy)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-2-(2-prop-2-enoxyphenoxy)ethanamine;hydrochloride
PubChem CID6458959
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC NameN-ethyl-2-(2-prop-2-enoxyphenoxy)ethanamine;hydrochloride
SMILESC=CCOc1ccccc1OCCNCC.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-3-10-15-12-7-5-6-8-13(12)16-11-9-14-4-2;/h3,5-8,14H,1,4,9-11H2,2H3;1H
InChIKeyLJQBYDNMWRZRDJ-UHFFFAOYSA-N
XLogP2.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-2-(2-prop-2-enoxyphenoxy)ethanamine;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

N-ethyl-2-(2-propoxyphenoxy)ethanamine
CID 6459111
N-[2-(2-propoxyphenoxy)ethyl]prop-2-en-1-amine
CID 55092999
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine;hydrochloride
CID 17123243
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
N-ethyl-2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 6460057
2-(2-tert-butylphenoxy)-N-ethylethanamine
CID 29015338
2-(2,3-dimethylphenoxy)-N-ethylethanamine;hydrochloride
CID 75531600
N-ethyl-2-(2-methoxy-4-prop-2-enylphenoxy)ethanamine
CID 6460350
2-but-3-enoxy-N-[2-(2-methoxyphenoxy)ethyl]ethanamine
CID 106401757
2-butoxy-N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 61170859
N-[2-(2-butan-2-ylphenoxy)ethyl]prop-2-en-1-amine
CID 62572475
2-(4-chloronaphthalen-1-yl)oxy-N-ethylethanamine;hydrochloride
CID 6458435

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-prop-2-enoxyphenoxy)ethanamine;hydrochloride?
The IUPAC name of N-ethyl-2-(2-prop-2-enoxyphenoxy)ethanamine;hydrochloride (CID 6458959) is N-ethyl-2-(2-prop-2-enoxyphenoxy)ethanamine;hydrochloride.
What is the SMILES notation for N-ethyl-2-(2-prop-2-enoxyphenoxy)ethanamine;hydrochloride?
The canonical SMILES for N-ethyl-2-(2-prop-2-enoxyphenoxy)ethanamine;hydrochloride is C=CCOc1ccccc1OCCNCC.Cl.
What is the InChIKey of N-ethyl-2-(2-prop-2-enoxyphenoxy)ethanamine;hydrochloride?
The InChIKey is LJQBYDNMWRZRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.ClH/c1-3-10-15-12-7-5-6-8-13(12)16-11-9-14-4-2;/h3,5-8,14H,1,4,9-11H2,2H3;1H.
What are the key properties of N-ethyl-2-(2-prop-2-enoxyphenoxy)ethanamine;hydrochloride?
N-ethyl-2-(2-prop-2-enoxyphenoxy)ethanamine;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-prop-2-enoxyphenoxy)ethanamine;hydrochloride is sourced from PubChem (CID 6458959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).