1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine

C14H22FNO2 — CID 55180092

IUPAC1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(F)cc1OCCOCC
InChIInChI=1S/C14H22FNO2/c1-4-16-11(3)13-7-6-12(15)10-14(13)18-9-8-17-5-2/h6-7,10-11,16H,4-5,8-9H2,1-3H3
InChIKeyYTVFFZHFFCLQNU-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.91
Rot. Bonds8

About 1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine

1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine (PubChem CID 55180092) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine
PubChem CID55180092
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(F)cc1OCCOCC
InChIInChI=1S/C14H22FNO2/c1-4-16-11(3)13-7-6-12(15)10-14(13)18-9-8-17-5-2/h6-7,10-11,16H,4-5,8-9H2,1-3H3
InChIKeyYTVFFZHFFCLQNU-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine
CID 63065689
1-[2-(2-ethoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640644
N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine
CID 63066393
N-ethyl-1-[4-fluoro-2-(2-phenylethoxy)phenyl]ethanamine
CID 63066226
N-ethyl-1-[4-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 63065873
methyl 2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]acetate
CID 63066050
1-[2-(3-ethoxypropoxy)-4-methylphenyl]-N-ethylethanamine
CID 65176576
N-ethyl-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethanamine
CID 43285224
N-ethyl-1-[5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
CID 103177883
N-ethyl-1-[4-fluoro-2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 63265153
N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 43286048
1-[5-chloro-2-(2-ethoxyethoxy)phenyl]-N-ethylethanamine
CID 62074237

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine (CID 55180092) is 1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine is CCNC(C)c1ccc(F)cc1OCCOCC.
What is the InChIKey of 1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine?
The InChIKey is YTVFFZHFFCLQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-4-16-11(3)13-7-6-12(15)10-14(13)18-9-8-17-5-2/h6-7,10-11,16H,4-5,8-9H2,1-3H3.
What are the key properties of 1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine?
1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine has a molecular weight of 255.33 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine is sourced from PubChem (CID 55180092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).