2-[2-(3,4-difluorophenyl)ethoxy]-N-ethylethanamine

C12H17F2NO — CID 65302851

IUPAC2-[2-(3,4-difluorophenyl)ethoxy]-N-ethylethanamine
SMILESCCNCCOCCc1ccc(F)c(F)c1
InChIInChI=1S/C12H17F2NO/c1-2-15-6-8-16-7-5-10-3-4-11(13)12(14)9-10/h3-4,9,15H,2,5-8H2,1H3
InChIKeyARJWZLOKTRJPQV-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.13
Rot. Bonds7

About 2-[2-(3,4-difluorophenyl)ethoxy]-N-ethylethanamine

2-[2-(3,4-difluorophenyl)ethoxy]-N-ethylethanamine (PubChem CID 65302851) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-[2-(3,4-difluorophenyl)ethoxy]-N-ethylethanamine.

Molecular Properties

Compound Name2-[2-(3,4-difluorophenyl)ethoxy]-N-ethylethanamine
PubChem CID65302851
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name2-[2-(3,4-difluorophenyl)ethoxy]-N-ethylethanamine
SMILESCCNCCOCCc1ccc(F)c(F)c1
InChIInChI=1S/C12H17F2NO/c1-2-15-6-8-16-7-5-10-3-4-11(13)12(14)9-10/h3-4,9,15H,2,5-8H2,1H3
InChIKeyARJWZLOKTRJPQV-UHFFFAOYSA-N
XLogP2.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(3,4-difluorophenyl)ethoxy]-N-ethylethanamine 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-(4-fluoro-3-methylphenyl)ethoxy]ethanamine
CID 79736426
2-[2-(3,4-diethylphenyl)ethoxy]-N-ethylethanamine
CID 113319292
N-ethyl-2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethanamine
CID 65303073
2-[2-(3-chloro-4-methoxyphenyl)ethoxy]-N-ethylethanamine
CID 65303014
1,2-difluoro-4-(2-methoxyethyl)benzene
CID 18372069
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
1,2-difluoro-4-propylbenzene;methane
CID 160697343
N-[2-[2-(3-fluoro-4-methoxyphenyl)ethoxy]ethyl]-2-methylpropan-1-amine
CID 65303172
2-but-3-enoxy-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 103854452
2-[(3,5-difluorophenyl)methoxy]-N-ethylethanamine
CID 105404471
N-[2-[2-(3,4-diethylphenyl)ethoxy]ethyl]-2-methoxyethanamine
CID 115483390
[2-(3,4-difluorophenyl)ethylamino]methanethiol
CID 115228233

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-difluorophenyl)ethoxy]-N-ethylethanamine?
The IUPAC name of 2-[2-(3,4-difluorophenyl)ethoxy]-N-ethylethanamine (CID 65302851) is 2-[2-(3,4-difluorophenyl)ethoxy]-N-ethylethanamine.
What is the SMILES notation for 2-[2-(3,4-difluorophenyl)ethoxy]-N-ethylethanamine?
The canonical SMILES for 2-[2-(3,4-difluorophenyl)ethoxy]-N-ethylethanamine is CCNCCOCCc1ccc(F)c(F)c1.
What is the InChIKey of 2-[2-(3,4-difluorophenyl)ethoxy]-N-ethylethanamine?
The InChIKey is ARJWZLOKTRJPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-2-15-6-8-16-7-5-10-3-4-11(13)12(14)9-10/h3-4,9,15H,2,5-8H2,1H3.
What are the key properties of 2-[2-(3,4-difluorophenyl)ethoxy]-N-ethylethanamine?
2-[2-(3,4-difluorophenyl)ethoxy]-N-ethylethanamine has a molecular weight of 229.27 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-difluorophenyl)ethoxy]-N-ethylethanamine is sourced from PubChem (CID 65302851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).