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

C16H26FNO2 — CID 107717524

IUPAC1-[4-(2-butoxyethoxy)-2-fluorophenyl]-N-ethylethanamine
SMILESCCCCOCCOc1ccc(C(C)NCC)c(F)c1
InChIInChI=1S/C16H26FNO2/c1-4-6-9-19-10-11-20-14-7-8-15(16(17)12-14)13(3)18-5-2/h7-8,12-13,18H,4-6,9-11H2,1-3H3
InChIKeyWGWCXNBYYJUAOG-UHFFFAOYSA-N
MW283.39 g/mol
LogP3.69
Rot. Bonds10

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

1-[4-(2-butoxyethoxy)-2-fluorophenyl]-N-ethylethanamine (PubChem CID 107717524) has the molecular formula C16H26FNO2 and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-[4-(2-butoxyethoxy)-2-fluorophenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-(2-butoxyethoxy)-2-fluorophenyl]-N-ethylethanamine
PubChem CID107717524
Molecular FormulaC16H26FNO2
Molecular Weight283.39 g/mol
Exact Mass283.19
IUPAC Name1-[4-(2-butoxyethoxy)-2-fluorophenyl]-N-ethylethanamine
SMILESCCCCOCCOc1ccc(C(C)NCC)c(F)c1
InChIInChI=1S/C16H26FNO2/c1-4-6-9-19-10-11-20-14-7-8-15(16(17)12-14)13(3)18-5-2/h7-8,12-13,18H,4-6,9-11H2,1-3H3
InChIKeyWGWCXNBYYJUAOG-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 53.69
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-[2-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 107717423
1-[2-(2-butoxyethoxy)-4-methylphenyl]-N-ethylethanamine
CID 63640993
N-butyl-2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]acetamide
CID 107717501
1-(4-butan-2-yloxy-2-fluorophenyl)-N-ethylethanamine
CID 107717175
N-ethyl-1-[2-fluoro-4-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 107717110
1-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-2,3-dimethylbutan-2-ol
CID 107717321
1-[4-(3-ethoxypropoxy)-2-fluorophenyl]ethanol
CID 107719818
3-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]butan-2-ol
CID 107717129
(1R)-1-[2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
CID 107718203
2-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-N,N-dimethylacetamide
CID 107717208
1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine
CID 107717512
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115715357

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-butoxyethoxy)-2-fluorophenyl]-N-ethylethanamine?
The IUPAC name of 1-[4-(2-butoxyethoxy)-2-fluorophenyl]-N-ethylethanamine (CID 107717524) is 1-[4-(2-butoxyethoxy)-2-fluorophenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-(2-butoxyethoxy)-2-fluorophenyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-(2-butoxyethoxy)-2-fluorophenyl]-N-ethylethanamine is CCCCOCCOc1ccc(C(C)NCC)c(F)c1.
What is the InChIKey of 1-[4-(2-butoxyethoxy)-2-fluorophenyl]-N-ethylethanamine?
The InChIKey is WGWCXNBYYJUAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2/c1-4-6-9-19-10-11-20-14-7-8-15(16(17)12-14)13(3)18-5-2/h7-8,12-13,18H,4-6,9-11H2,1-3H3.
What are the key properties of 1-[4-(2-butoxyethoxy)-2-fluorophenyl]-N-ethylethanamine?
1-[4-(2-butoxyethoxy)-2-fluorophenyl]-N-ethylethanamine has a molecular weight of 283.39 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-butoxyethoxy)-2-fluorophenyl]-N-ethylethanamine is sourced from PubChem (CID 107717524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).